2-(methacryloyloxy)ethyl 3-oxobutanoate
fo-aab22e5b35319f61
Identity
- Type
- Neutral molecule
- CAS
- 21282-97-3
- EC
- 244-311-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
18- 2-(2-Methylprop-2-enoyloxy)ethyl 3-oxobutanoate
- 2-(Acetoacetoxy)ethyl methacrylate
- 2-(Acetylacetoxy)ethyl methacrylate
- 2-(Methacryloyloxy)ethyl acetoacetate
- 2-(Methacryloyloxy)ethyl3-oxobutanoate
- 2-[(2-Methylprop-2-enoyl)oxy]ethyl 3-oxobutanoate
- 2-Hydroxyethyl methacrylate acetoacetate
- 3-Oxo-butyric acid 2-(2-methylacryloyloxy)ethyl ester
- AAEM
- AAEMA
- Acetoacetic acid, 2-hydroxyethyl ester methacrylate
- Butanoic acid, 3-oxo-, 2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl ester
- Butanoic acid, 3-oxo-, 2-[(2-methyl-1-oxo-2-propenyl)oxy]ethyl ester
- Eastman AAEM
- Ethylene glycol acetoacetate methacrylate
- Ethylene glycol acetylacetate methacrylate
- Ethylene glycol monoacetoacetate monomethacrylate
- Lonzamon AAEMA
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | IBDVWXAVKPRHCU-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H14O5/c1-7(2)10(13)15-5-4-14-9(12)6-8(3)11/h1,4-6H2,2-3H3 |
| IUPAC name chemrof:IUPAC_name | 2-(methacryloyloxy)ethyl 3-oxobutanoate |
| Molecular formula chemrof:molecular_formula | C10H14O5 |
| Molecular mass chemrof:molecular_mass | 214.217 |
| Monoisotopic mass chemrof:monoisotopic_mass | 214.084124 |
| SMILES string chemrof:smiles_string | C=C(C)C(=O)OCCOC(=O)CC(C)=O |
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=21282-97-3 | enrich_references.consensus_cas_link |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=65188-70-7 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.040.268 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.149.880 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID7041388 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3188313 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6L3EW3HZF2 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J364.805B | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/88855 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27265080 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 9db700f8-55ea-4714-9346-81bb625a0b6f | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 173141ef-c098-40e1-a93e-5aa40df9eecc | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 134265bb-8c4a-4eaf-aaab-eb2a607255cb | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 1160576d-b82e-49b2-8fc2-04bc4bbbd09c | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| ed2a72e1-b69f-4dcc-9037-9751d6aaa24b | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 7668d0aa-7e21-4bd4-8d4f-5d73cbc0f9d1 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 82e19a00-a2c6-4269-8e48-cddfcb393b4c | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 9991a3dd-0f1b-43eb-8fe5-61c670ae9423 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 673846c5-fee6-474c-ad35-271758025d7a | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 782fc45d-e919-486f-a91f-93a4f058edd9 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 04c1f715-6af8-433c-a56d-2ef02d6bcaa3 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| e4a8c495-4de1-409b-b8de-6d41def3302e | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 19e076a1-73d2-43c6-884a-d21f52f1a4ce | 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-aab22e5b35319f61",
"prefLabel": [
{
"@value": "2-(methacryloyloxy)ethyl 3-oxobutanoate",
"@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": "2-(2-Methylprop-2-enoyloxy)ethyl 3-oxobutanoate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:21282-97-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=21282-97-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(Acetoacetoxy)ethyl methacrylate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:21282-97-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=21282-97-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(Acetylacetoxy)ethyl methacrylate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:21282-97-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=21282-97-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(Methacryloyloxy)ethyl acetoacetate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:21282-97-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=21282-97-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(Methacryloyloxy)ethyl3-oxobutanoate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:21282-97-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=21282-97-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-[(2-Methylprop-2-enoyl)oxy]ethyl 3-oxobutanoate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:21282-97-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=21282-97-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Hydroxyethyl methacrylate acetoacetate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:21282-97-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=21282-97-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3-Oxo-butyric acid 2-(2-methylacryloyloxy)ethyl ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:21282-97-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=21282-97-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "AAEM",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:21282-97-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=21282-97-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "AAEMA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:21282-97-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=21282-97-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Acetoacetic acid, 2-hydroxyethyl ester methacrylate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:21282-97-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=21282-97-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Butanoic acid, 3-oxo-, 2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:21282-97-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=21282-97-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Butanoic acid, 3-oxo-, 2-[(2-methyl-1-oxo-2-propenyl)oxy]ethyl ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:21282-97-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=21282-97-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Eastman AAEM",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:21282-97-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=21282-97-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethylene glycol acetoacetate methacrylate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:21282-97-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=21282-97-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethylene glycol acetylacetate methacrylate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:21282-97-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=21282-97-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethylene glycol monoacetoacetate monomethacrylate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:21282-97-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=21282-97-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Lonzamon AAEMA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:21282-97-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=21282-97-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C10H14O5"
],
"attested_by": {
"C10H14O5": [
"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:88855"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=C(C)C(=O)OCCOC(=O)CC(C)=O"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"IBDVWXAVKPRHCU-UHFFFAOYSA-N"
],
"attested_by": {
"IBDVWXAVKPRHCU-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:88855"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=C(C)C(=O)OCCOC(=O)CC(C)=O"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"C=C(C)C(=O)OCCOC(=O)CC(C)=O"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-(methacryloyloxy)ethyl 3-oxobutanoate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=C(C)C(=O)OCCOC(=O)CC(C)=O"
]
}
],
"attested_by": {
"C=C(C)C(=O)OCCOC(=O)CC(C)=O": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C10H14O5/c1-7(2)10(13)15-5-4-14-9(12)6-8(3)11/h1,4-6H2,2-3H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-(methacryloyloxy)ethyl 3-oxobutanoate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=C(C)C(=O)OCCOC(=O)CC(C)=O"
]
}
],
"attested_by": {
"InChI=1S/C10H14O5/c1-7(2)10(13)15-5-4-14-9(12)6-8(3)11/h1,4-6H2,2-3H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"2-(methacryloyloxy)ethyl 3-oxobutanoate"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-(methacryloyloxy)ethyl 3-oxobutanoate"
]
},
"attested_by": {
"2-(methacryloyloxy)ethyl 3-oxobutanoate": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
214.217
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(=C)C(=O)OCCOC(=O)CC(=O)C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=C(C)C(=O)OCCOC(=O)CC(C)=O"
]
}
],
"attested_by": {
"214.217": [
"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": [
214.084124
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(=C)C(=O)OCCOC(=O)CC(=O)C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=C(C)C(=O)OCCOC(=O)CC(C)=O"
]
}
],
"attested_by": {
"214.084124": [
"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=J364.805B",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:88855;CAS:21282-97-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[21282-97-3]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.040.268",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:88855;CAS:21282-97-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[21282-97-3]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.149.880",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:88855;CAS:21282-97-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[21282-97-3]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=21282-97-3",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"21282-97-3"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=65188-70-7",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:88855;CAS:21282-97-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[21282-97-3]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID7041388",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:88855;CAS:21282-97-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[21282-97-3]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6L3EW3HZF2",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:88855;CAS:21282-97-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[21282-97-3]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/88855",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:88855;CAS:21282-97-3"
],
"prov:wasDerivedFrom": "pubchem.by_cas[21282-97-3]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3188313",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:88855;CAS:21282-97-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[21282-97-3]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27265080",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:88855;CAS:21282-97-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[21282-97-3]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "04c1f715-6af8-433c-a56d-2ef02d6bcaa3",
"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": [
"21282-97-3"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=21282-97-3"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=21282-97-3"
}
],
"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": [
"244-311-1"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=244-311-1"
],
"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