(1-hydroxycyclohexyl)(phenyl)methanone
fo-3e46324ef25a7a05
Identity
- Type
- Neutral molecule
- CAS
- 947-19-3
- EC
- 213-426-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
28- (1-Hydroxycyclohexyl)phenylmethanone
- 1-Benzoyl-1-hydroxycyclohexane
- 1-Benzoylcyclohexanol
- 1-Hydroxy-1-cyclohexyl phenyl ketone
- 1-Hydroxycyclohexyl phenyl ketone
- 184D
- 184S
- Additol CPK
- Daido UV-Cure 174
- Esacure KS 300
- Genocure CPK
- HCPK
- IHT-PI 184
- Irgacure G 17-1184
- Irgacure I 184
- JRCure 1104
- JRcure 184
- Ketone, 1-hydroxycyclohexyl phenyl
- Methanone, (1-hydroxycyclohexyl)phenyl-
- Micure CP 4
- SarCure SR 1122
- SB-PI 714
- Speedcure 84
- Suncure 84
- UV-Cure 174
- X-Cure 184
- α-Hydroxy-α-cyclohexyl phenyl ketone
- α-Hydroxycyclohexyl phenyl ketone
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | QNODIIQQMGDSEF-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C13H16O2/c14-12(11-7-3-1-4-8-11)13(15)9-5-2-6-10-13/h1,3-4,7-8,15H,2,5-6,9-10H2 |
| IUPAC name chemrof:IUPAC_name | (1-hydroxycyclohexyl)(phenyl)methanone |
| Molecular formula chemrof:molecular_formula | C13H16O2 |
| Molecular mass chemrof:molecular_mass | 204.269 |
| Monoisotopic mass chemrof:monoisotopic_mass | 204.11503 |
| SMILES string chemrof:smiles_string | O=C(c1ccccc1)C1(O)CCCCC1 |
Known URLs
9Where 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=947-19-3 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.012.206 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID9044748 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=401908 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/E7JVN2243X | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0247678 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J39.368A | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/70355 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27276972 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| eeb0581d-5a7b-417b-bfff-36a8e715e087 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 44bedbc2-4b1d-41d3-8250-c566c71f8009 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 25323925-a4e8-4a52-a284-121061f5fe14 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| dbd08f62-defa-4c0d-a901-a3a57ad34077 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 0c4070e2-9095-4c2f-b66e-113b27980ff5 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| d8251974-35a5-4d5d-adfb-0dc5985d9944 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 973d26dd-ce98-430d-ac4e-555e2462a1f0 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 294d5551-3d1d-4c51-adea-53d9c7d50061 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| cb918770-c0a3-4d7d-9f16-466f010c5580 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 3ef86dc7-e339-4bef-af44-5f41f590b4d5 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| e288c7bb-0327-4abf-ad41-a5519bf65d37 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| c6206ada-c43e-4e33-a9d6-e81d0af3e6e1 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 3ce45991-8610-4eac-90e1-531a94ab4928 | 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-3e46324ef25a7a05",
"prefLabel": [
{
"@value": "(1-hydroxycyclohexyl)(phenyl)methanone",
"@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": "(1-Hydroxycyclohexyl)phenylmethanone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:947-19-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=947-19-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1-Benzoyl-1-hydroxycyclohexane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:947-19-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=947-19-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1-Benzoylcyclohexanol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:947-19-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=947-19-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1-Hydroxy-1-cyclohexyl phenyl ketone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:947-19-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=947-19-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1-Hydroxycyclohexyl phenyl ketone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:947-19-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=947-19-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "184D",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:947-19-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=947-19-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "184S",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:947-19-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=947-19-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Additol CPK",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:947-19-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=947-19-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Daido UV-Cure 174",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:947-19-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=947-19-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Esacure KS 300",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:947-19-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=947-19-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Genocure CPK",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:947-19-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=947-19-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "HCPK",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:947-19-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=947-19-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "IHT-PI 184",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:947-19-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=947-19-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Irgacure G 17-1184",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:947-19-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=947-19-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Irgacure I 184",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:947-19-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=947-19-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "JRCure 1104",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:947-19-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=947-19-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "JRcure 184",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:947-19-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=947-19-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ketone, 1-hydroxycyclohexyl phenyl",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:947-19-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=947-19-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Methanone, (1-hydroxycyclohexyl)phenyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:947-19-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=947-19-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Micure CP 4",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:947-19-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=947-19-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "SarCure SR 1122",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:947-19-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=947-19-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "SB-PI 714",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:947-19-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=947-19-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Speedcure 84",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:947-19-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=947-19-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Suncure 84",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:947-19-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=947-19-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "UV-Cure 174",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:947-19-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=947-19-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "X-Cure 184",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:947-19-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=947-19-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "α-Hydroxy-α-cyclohexyl phenyl ketone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:947-19-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=947-19-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "α-Hydroxycyclohexyl phenyl ketone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:947-19-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=947-19-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C13H16O2"
],
"attested_by": {
"C13H16O2": [
"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:70355"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(c1ccccc1)C1(O)CCCCC1"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"QNODIIQQMGDSEF-UHFFFAOYSA-N"
],
"attested_by": {
"QNODIIQQMGDSEF-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:70355"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(c1ccccc1)C1(O)CCCCC1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"O=C(c1ccccc1)C1(O)CCCCC1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"(1-hydroxycyclohexyl)(phenyl)methanone"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(c1ccccc1)C1(O)CCCCC1"
]
}
],
"attested_by": {
"O=C(c1ccccc1)C1(O)CCCCC1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C13H16O2/c14-12(11-7-3-1-4-8-11)13(15)9-5-2-6-10-13/h1,3-4,7-8,15H,2,5-6,9-10H2"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"(1-hydroxycyclohexyl)(phenyl)methanone"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(c1ccccc1)C1(O)CCCCC1"
]
}
],
"attested_by": {
"InChI=1S/C13H16O2/c14-12(11-7-3-1-4-8-11)13(15)9-5-2-6-10-13/h1,3-4,7-8,15H,2,5-6,9-10H2": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"(1-hydroxycyclohexyl)(phenyl)methanone"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"(1-hydroxycyclohexyl)(phenyl)methanone"
]
},
"attested_by": {
"(1-hydroxycyclohexyl)(phenyl)methanone": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
204.269
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1CCC(CC1)(C(=O)C2=CC=CC=C2)O"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(c1ccccc1)C1(O)CCCCC1"
]
}
],
"attested_by": {
"204.269": [
"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": [
204.11503
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1CCC(CC1)(C(=O)C2=CC=CC=C2)O"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(c1ccccc1)C1(O)CCCCC1"
]
}
],
"attested_by": {
"204.11503": [
"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=J39.368A",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:70355;CAS:947-19-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[947-19-3]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.012.206",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:70355;CAS:947-19-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[947-19-3]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=947-19-3",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"947-19-3"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID9044748",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:70355;CAS:947-19-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[947-19-3]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=401908",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:70355;CAS:947-19-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[947-19-3]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/E7JVN2243X",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:70355;CAS:947-19-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[947-19-3]"
}
},
{
"@id": "https://hmdb.ca/metabolites/HMDB0247678",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:70355;CAS:947-19-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[947-19-3]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/70355",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:70355;CAS:947-19-3"
],
"prov:wasDerivedFrom": "pubchem.by_cas[947-19-3]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27276972",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:70355;CAS:947-19-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[947-19-3]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "0c4070e2-9095-4c2f-b66e-113b27980ff5",
"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": [
"947-19-3"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=947-19-3"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=947-19-3"
}
],
"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": [
"213-426-9"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=213-426-9"
],
"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