7-oxabicyclo[4.1.0]hept-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
fo-e2957aa092f6b775
Identity
- Type
- Neutral molecule
- CAS
- 2386-87-0
- EC
- 219-207-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
![Structure diagram for 7-oxabicyclo[4.1.0]hept-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate](/flow-objects/fo-e2957aa092f6b775/structure.svg)
Alternative labels
24- (3,4-Epoxycyclohexane)methyl 3,4-epoxycyclohexylcarboxylate
- (3,4-Epoxycyclohexane)methyl 3′,4′-epoxycyclohexyl-carboxylate
- (3,4-Epoxycyclohexenyl)methyl (3,4-epoxycyclohexenyl)carboxylate
- (3,4-Epoxycyclohexyl)methyl 3,4-epoxycyclohexylcarboxylate
- (3′,4′-Epoxycyclohexane)methyl 3,4-epoxycyclohexanecarboxylate
- (3′,4′-Epoxycyclohexylmethyl) 3,4-epoxycyclohexanecarboxylate
- 201GA
- 3,4-Epoxycyclohexanecarboxylic acid (3,4-epoxycyclohexylmethyl) ester
- 3,4-Epoxycyclohexanecarboxylic acid (3′,4′-epoxycyclohexyl)methyl ester
- 3,4-Epoxycyclohexanemethyl 3,4-epoxycyclohexanecarboxylate
- 3,4-Epoxycyclohexenylmethyl 3′,4′-epoxycyclohexenecarboxylate
- 3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexanecarboxylate
- 3,4-Epoxycyclohexylmethyl 3′,4′-epoxycyclohexanecarboxylate
- 3,4-Epoxycyclohexylmethyl 3′,4′-epoxycyclohexylcarboxylate
- 3,4-Epoxycyclohexylmethylene-(3,4-epoxycyclohexane) carboxylate
- 7-Oxabicyclo[4.1.0]hept-3-yl-methyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
- 7-Oxabicyclo[4.1.0]heptan-4-ylmethyl 7-oxabicyclo[4.1.0]heptane-4-carboxylate
- 7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester
- Chissonox 221 monomer
- EPOX
- Sinepoxy CER 421
- UP 632 monomer
- UVA 1500 monomer
- Uvicure S 105ES
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | YXALYBMHAYZKAP-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C14H20O4/c15-14(9-2-4-11-13(6-9)18-11)16-7-8-1-3-10-12(5-8)17-10/h8-13H,1-7H2 |
| IUPAC name chemrof:IUPAC_name | 7-oxabicyclo[4.1.0]hept-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate |
| Molecular formula chemrof:molecular_formula | C14H20O4 |
| Molecular mass chemrof:molecular_mass | 252.31 |
| Monoisotopic mass chemrof:monoisotopic_mass | 252.136159 |
| SMILES string chemrof:smiles_string | O=C(OCC1CCC2OC2C1)C1CCC2OC2C1 |
Known URLs
10Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=2386-87-0 | enrich_references.consensus_cas_link |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=25085-98-7 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.017.463 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.118.208 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID2027466 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2143072 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/S224DEL3P4 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J42.541I | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/16949 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q19694494 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 63cd7b52-fb38-49b5-902e-8688387a2dcc | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| e757d979-9948-4b5e-96fd-bdea623f8d39 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 0c45f628-c88d-48a8-8ef1-2577ea61c589 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 1f4a82b3-f259-46c8-a48e-f3783e07de83 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| a75ed61e-7acb-4eb5-9ed6-cef99bf84921 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 40390d79-f2f7-4c0e-8e0b-0f1f3b4b951a | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 1f676d64-66fa-48fa-a4b0-6a0ea8e1356b | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 4f4a3ebf-ac0a-4d77-93cd-e05f3d8c80bc | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 593d4406-4bab-4dcf-80c8-1ad49baed10d | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 3f5742a0-819b-4f41-ab46-af06527aee85 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| f3d4320b-1b5b-4dca-ab0c-337f6c01e762 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| eac7b62c-c5f4-4301-9288-81b1f5fcbc19 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 9e10e79a-7a07-454c-ae01-b0a4720deb62 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-e2957aa092f6b775",
"prefLabel": [
{
"@value": "7-oxabicyclo[4.1.0]hept-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "(3,4-Epoxycyclohexane)methyl 3,4-epoxycyclohexylcarboxylate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2386-87-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2386-87-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "(3,4-Epoxycyclohexane)methyl 3′,4′-epoxycyclohexyl-carboxylate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2386-87-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2386-87-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "(3,4-Epoxycyclohexenyl)methyl (3,4-epoxycyclohexenyl)carboxylate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2386-87-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2386-87-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "(3,4-Epoxycyclohexyl)methyl 3,4-epoxycyclohexylcarboxylate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2386-87-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2386-87-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "(3′,4′-Epoxycyclohexane)methyl 3,4-epoxycyclohexanecarboxylate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2386-87-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2386-87-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "(3′,4′-Epoxycyclohexylmethyl) 3,4-epoxycyclohexanecarboxylate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2386-87-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2386-87-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "201GA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2386-87-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2386-87-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3,4-Epoxycyclohexanecarboxylic acid (3,4-epoxycyclohexylmethyl) ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2386-87-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2386-87-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3,4-Epoxycyclohexanecarboxylic acid (3′,4′-epoxycyclohexyl)methyl ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2386-87-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2386-87-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3,4-Epoxycyclohexanemethyl 3,4-epoxycyclohexanecarboxylate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2386-87-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2386-87-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3,4-Epoxycyclohexenylmethyl 3′,4′-epoxycyclohexenecarboxylate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2386-87-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2386-87-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexanecarboxylate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2386-87-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2386-87-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3,4-Epoxycyclohexylmethyl 3′,4′-epoxycyclohexanecarboxylate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2386-87-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2386-87-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3,4-Epoxycyclohexylmethyl 3′,4′-epoxycyclohexylcarboxylate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2386-87-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2386-87-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3,4-Epoxycyclohexylmethylene-(3,4-epoxycyclohexane) carboxylate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2386-87-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2386-87-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "7-Oxabicyclo[4.1.0]hept-3-yl-methyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2386-87-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2386-87-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "7-Oxabicyclo[4.1.0]heptan-4-ylmethyl 7-oxabicyclo[4.1.0]heptane-4-carboxylate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2386-87-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2386-87-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2386-87-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2386-87-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Chissonox 221 monomer",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2386-87-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2386-87-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "EPOX",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2386-87-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2386-87-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sinepoxy CER 421",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2386-87-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2386-87-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "UP 632 monomer",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2386-87-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2386-87-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "UVA 1500 monomer",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2386-87-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2386-87-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Uvicure S 105ES",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2386-87-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2386-87-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C14H20O4"
],
"attested_by": {
"C14H20O4": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16949"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(OCC1CCC2OC2C1)C1CCC2OC2C1"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"YXALYBMHAYZKAP-UHFFFAOYSA-N"
],
"attested_by": {
"YXALYBMHAYZKAP-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16949"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(OCC1CCC2OC2C1)C1CCC2OC2C1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"O=C(OCC1CCC2OC2C1)C1CCC2OC2C1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"7-oxabicyclo[4.1.0]hept-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(OCC1CCC2OC2C1)C1CCC2OC2C1"
]
}
],
"attested_by": {
"O=C(OCC1CCC2OC2C1)C1CCC2OC2C1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C14H20O4/c15-14(9-2-4-11-13(6-9)18-11)16-7-8-1-3-10-12(5-8)17-10/h8-13H,1-7H2"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"7-oxabicyclo[4.1.0]hept-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(OCC1CCC2OC2C1)C1CCC2OC2C1"
]
}
],
"attested_by": {
"InChI=1S/C14H20O4/c15-14(9-2-4-11-13(6-9)18-11)16-7-8-1-3-10-12(5-8)17-10/h8-13H,1-7H2": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"7-oxabicyclo[4.1.0]hept-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"7-oxabicyclo[4.1.0]hept-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate"
]
},
"attested_by": {
"7-oxabicyclo[4.1.0]hept-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
252.31
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1CC2C(O2)CC1COC(=O)C3CCC4C(C3)O4"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(OCC1CCC2OC2C1)C1CCC2OC2C1"
]
}
],
"attested_by": {
"252.31": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
252.136159
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1CC2C(O2)CC1COC(=O)C3CCC4C(C3)O4"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(OCC1CCC2OC2C1)C1CCC2OC2C1"
]
}
],
"attested_by": {
"252.136159": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J42.541I",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16949;CAS:2386-87-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2386-87-0]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.017.463",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16949;CAS:2386-87-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2386-87-0]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.118.208",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16949;CAS:2386-87-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2386-87-0]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=2386-87-0",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2386-87-0"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=25085-98-7",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16949;CAS:2386-87-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2386-87-0]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID2027466",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16949;CAS:2386-87-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2386-87-0]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/S224DEL3P4",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16949;CAS:2386-87-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2386-87-0]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/16949",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16949;CAS:2386-87-0"
],
"prov:wasDerivedFrom": "pubchem.by_cas[2386-87-0]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2143072",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16949;CAS:2386-87-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2386-87-0]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q19694494",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16949;CAS:2386-87-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2386-87-0]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "0c45f628-c88d-48a8-8ef1-2577ea61c589",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"2386-87-0"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=2386-87-0"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=2386-87-0"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"219-207-4"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=219-207-4"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works