Flow object JSON
{
"flow_object_id": "fo-241486da27a3b69b",
"prefLabel": [
{
"@value": "3-dodecenyl Dihydrofuran-2,5-dione",
"@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": "(Tetrapropenyl)succinic anhydride",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:26544-38-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=26544-38-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,5-Furandione, dihydro-3-(tetrapropenyl)-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:26544-38-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=26544-38-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "ASAN-PT",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:26544-38-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=26544-38-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Dihydro-3-(tetrapropenyl)-2,5-furandione",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:26544-38-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=26544-38-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "DSA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:26544-38-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=26544-38-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "DSA (crosslinking agent)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:26544-38-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=26544-38-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Succinic anhydride, (tetrapropenyl)-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:26544-38-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=26544-38-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C16H20O3",
"C16H26O3"
],
"attested_by": {
"C16H20O3": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
],
"C16H26O3": [
"enrich_references.pubchem_semantic"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:117318",
"CID:237745",
"CID:6438029",
"CID:74000381"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC=CC1(C=CC)C(=O)OC(=O)C1(C=CC)C=CC"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"AMEIILZCUWMPEV-ONEGZZNKSA-N",
"OYNOZYCJSZYBNV-UHFFFAOYSA-N",
"WBRBLKRDTHYRRV-UHFFFAOYSA-N"
],
"attested_by": {
"AMEIILZCUWMPEV-ONEGZZNKSA-N": [
"enrich_references.pubchem_semantic"
],
"OYNOZYCJSZYBNV-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
],
"WBRBLKRDTHYRRV-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:117318",
"CID:237745",
"CID:6438029",
"CID:74000381"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC=CC1(C=CC)C(=O)OC(=O)C1(C=CC)C=CC"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CC=CC1(C=CC)C(=O)OC(=O)C1(C=CC)C=CC"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"(Tetrapropenyl)succinic anhydride"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC=CC1(C=CC)C(=O)OC(=O)C1(C=CC)C=CC"
]
}
],
"attested_by": {
"CC=CC1(C=CC)C(=O)OC(=O)C1(C=CC)C=CC": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C16H20O3/c1-5-9-15(10-6-2)13(17)19-14(18)16(15,11-7-3)12-8-4/h5-12H,1-4H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"(Tetrapropenyl)succinic anhydride"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC=CC1(C=CC)C(=O)OC(=O)C1(C=CC)C=CC"
]
}
],
"attested_by": {
"InChI=1S/C16H20O3/c1-5-9-15(10-6-2)13(17)19-14(18)16(15,11-7-3)12-8-4/h5-12H,1-4H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"(Tetrapropenyl)succinic anhydride"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"(Tetrapropenyl)succinic anhydride"
]
},
"attested_by": {
"(Tetrapropenyl)succinic anhydride": [
"opsin_iupac"
]
}
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J120.751B",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6438029;CAS:26544-38-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[26544-38-7]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.043.422",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6438029;CAS:26544-38-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[26544-38-7]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=26544-38-7",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"26544-38-7"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID201014901",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:237745;CAS:26544-38-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[26544-38-7]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/JAX3MHB7U8",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:237745;CAS:26544-38-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[26544-38-7]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/117318",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:117318;CAS:26544-38-7"
],
"prov:wasDerivedFrom": "pubchem.by_cas[26544-38-7]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/237745",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:237745;CAS:26544-38-7"
],
"prov:wasDerivedFrom": "pubchem.by_cas[26544-38-7]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/6438029",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6438029;CAS:26544-38-7"
],
"prov:wasDerivedFrom": "pubchem.by_cas[26544-38-7]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/74000381",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:74000381;CAS:26544-38-7"
],
"prov:wasDerivedFrom": "pubchem.by_cas[26544-38-7]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "34f71f06-7421-4772-94b8-b7e05cfd3eed",
"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": [
"26544-38-7"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=26544-38-7"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=26544-38-7"
}
],
"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": [
"247-781-6"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=247-781-6"
],
"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"
]
}
