Clobuzarit
fo-77e3478be0cbe1e8
Identity
- Type
- Neutral molecule
- CAS
- 22494-47-9
- EC
- 245-035-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
8- 2-[(4′-Chloro[1,1′-biphenyl]-4-yl)methoxy]-2-methylpropanoic acid
- 2-[[4-(4-Chlorophenyl)phenyl]methoxy]-2-methylpropanoic acid
- 2-[[4-(p-Chlorophenyl)benzyl]oxy]-2-methylpropionic acid
- clozic
- clozic acid
- ICI 55,897
- Propanoic acid, 2-[(4′-chloro[1,1′-biphenyl]-4-yl)methoxy]-2-methyl-
- Propionic acid, 2-[[p-(p-chlorophenyl)benzyl]oxy]-2-methyl-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | UGOFYAXVVVXMQT-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C17H17ClO3/c1-17(2,16(19)20)21-11-12-3-5-13(6-4-12)14-7-9-15(18)10-8-14/h3-10H,11H2,1-2H3,(H,19,20) |
| IUPAC name chemrof:IUPAC_name | 2-[(4′-Chloro[1,1′-biphenyl]-4-yl)methoxy]-2-methylpropanoic acid |
| Molecular formula chemrof:molecular_formula | C17H17ClO3 |
| Molecular mass chemrof:molecular_mass | 304.773 |
| Monoisotopic mass chemrof:monoisotopic_mass | 304.08662, 304.086622 |
| SMILES string chemrof:smiles_string | CC(C)(OCc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O |
Known URLs
14Where 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=22494-47-9 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:135294 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.040.926 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8020335 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB21315 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:3716 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/3716 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL164447 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/W3D7B06505 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0250334 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J11.498G | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C78132 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/71697 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27292252 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| dab5f047-d7f2-4b04-91f6-31239ab5cbe3 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| a06cb482-2cc4-4504-8abe-11e531865413 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| a9b5d04c-b9d7-4d47-95fa-9107ccfe480a | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| ff671de3-00ea-4248-90ae-4caf50cf6c10 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| aa40b759-92fd-42a8-8241-0e2f8a1ea3ef | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| dc124009-f3a7-4d96-8d66-e3b1e97dfff5 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 98790eca-d6fd-4a01-88dd-4984077fc059 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| fea087fe-4b3b-4e32-a4be-72f63b25fc82 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| cc529832-3e24-4bb5-bf29-feb76fd288b9 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 68d45809-c72b-460c-bc13-6860a1b685ab | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 57333c1c-02fc-4606-bff2-28ada2022c4b | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 52bac16e-e54c-4133-8867-b1389e558eef | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| bad260c0-0809-4a32-9d5d-07162f999b7d | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-77e3478be0cbe1e8",
"prefLabel": [
{
"@value": "Clobuzarit",
"@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-[(4′-Chloro[1,1′-biphenyl]-4-yl)methoxy]-2-methylpropanoic acid",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:22494-47-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=22494-47-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-[[4-(4-Chlorophenyl)phenyl]methoxy]-2-methylpropanoic acid",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:22494-47-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=22494-47-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-[[4-(p-Chlorophenyl)benzyl]oxy]-2-methylpropionic acid",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:22494-47-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=22494-47-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "clozic",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_135294"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "clozic acid",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_135294"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "ICI 55,897",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_135294"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Propanoic acid, 2-[(4′-chloro[1,1′-biphenyl]-4-yl)methoxy]-2-methyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:22494-47-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=22494-47-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Propionic acid, 2-[[p-(p-chlorophenyl)benzyl]oxy]-2-methyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:22494-47-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=22494-47-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C17H17ClO3"
],
"attested_by": {
"C17H17ClO3": [
"enrich_references.chebi_semantic",
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_135294"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
},
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:71697"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(OCc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CC(C)(OCc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-[(4′-Chloro[1,1′-biphenyl]-4-yl)methoxy]-2-methylpropanoic acid"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(OCc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O"
]
}
],
"attested_by": {
"CC(C)(OCc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)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/C17H17ClO3/c1-17(2,16(19)20)21-11-12-3-5-13(6-4-12)14-7-9-15(18)10-8-14/h3-10H,11H2,1-2H3,(H,19,20)"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-[(4′-Chloro[1,1′-biphenyl]-4-yl)methoxy]-2-methylpropanoic acid"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(OCc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O"
]
}
],
"attested_by": {
"InChI=1S/C17H17ClO3/c1-17(2,16(19)20)21-11-12-3-5-13(6-4-12)14-7-9-15(18)10-8-14/h3-10H,11H2,1-2H3,(H,19,20)": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"UGOFYAXVVVXMQT-UHFFFAOYSA-N"
],
"attested_by": {
"UGOFYAXVVVXMQT-UHFFFAOYSA-N": [
"enrich_references.chebi_semantic",
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_135294"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.inchi_key_string"
},
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:71697"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(OCc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O"
]
}
]
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"@value": [
304.773
],
"attested_by": {
"304.773": [
"enrich_references.chebi_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular mass",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_135294"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.mass"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(OCc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O"
]
}
]
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"@value": [
304.08662,
304.086622
],
"attested_by": {
"304.08662": [
"enrich_references.chebi_semantic"
],
"304.086622": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"rdfs:label": "Monoisotopic mass",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_135294"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.monoisotopic_mass"
},
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(C(=O)O)OCC1=CC=C(C=C1)C2=CC=C(C=C2)Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(OCc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O"
]
}
]
},
"https://w3id.org/chemrof/elemental_charge": {
"@id": "https://w3id.org/chemrof/elemental_charge",
"@value": [
0
],
"attested_by": {
"0": [
"enrich_references.chebi_semantic"
]
},
"rdfs:label": "Elemental charge",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/NUM",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_135294"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.charge"
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"2-[(4′-Chloro[1,1′-biphenyl]-4-yl)methoxy]-2-methylpropanoic acid"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-[(4′-Chloro[1,1′-biphenyl]-4-yl)methoxy]-2-methylpropanoic acid"
]
},
"attested_by": {
"2-[(4′-Chloro[1,1′-biphenyl]-4-yl)methoxy]-2-methylpropanoic acid": [
"opsin_iupac"
]
}
}
},
"references": [
{
"@id": "drugcentral:3716",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_135294"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J11.498G",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:71697;CAS:22494-47-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[22494-47-9]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.040.926",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:71697;CAS:22494-47-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[22494-47-9]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=22494-47-9",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_135294"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID8020335",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:71697;CAS:22494-47-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[22494-47-9]"
}
},
{
"@id": "https://drugcentral.org/drugcard/3716",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:71697;CAS:22494-47-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[22494-47-9]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/W3D7B06505",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:71697;CAS:22494-47-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[22494-47-9]"
}
},
{
"@id": "https://hmdb.ca/metabolites/HMDB0250334",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:71697;CAS:22494-47-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[22494-47-9]"
}
},
{
"@id": "https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C78132",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:71697;CAS:22494-47-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[22494-47-9]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/71697",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:71697;CAS:22494-47-9"
],
"prov:wasDerivedFrom": "pubchem.by_cas[22494-47-9]"
}
},
{
"@id": "https://www.drugbank.ca/drugs/DB21315",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:71697;CAS:22494-47-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[22494-47-9]"
}
},
{
"@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:135294",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_id_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_135294"
],
"prov:wasDerivedFrom": "chebi.id"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL164447",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:71697;CAS:22494-47-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[22494-47-9]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27292252",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:71697;CAS:22494-47-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[22494-47-9]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "52bac16e-e54c-4133-8867-b1389e558eef",
"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": [
"22494-47-9"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=22494-47-9"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=22494-47-9"
}
],
"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": [
"245-035-4"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=245-035-4"
],
"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