Flow object JSON
{
"flow_object_id": "fo-8705c29b57161d65",
"prefLabel": [
{
"@value": "Oxydipropane-1,2-diyl Bisacrylate",
"@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-Propenoic acid, 1,1′-[oxybis(methyl-2,1-ethanediyl)] ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:57472-68-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=57472-68-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Propenoic acid, oxybis(methyl-2,1-ethanediyl) ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:57472-68-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=57472-68-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "AgiSyn 2833",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:57472-68-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=57472-68-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Dipropylene glycol diacrylate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:57472-68-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=57472-68-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "DPGDA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:57472-68-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=57472-68-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "EM 222TF",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:57472-68-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=57472-68-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Komerate D 021",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:57472-68-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=57472-68-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Laromer DPGDA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:57472-68-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=57472-68-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Laromer UA 9073",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:57472-68-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=57472-68-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Miramer M 222",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:57472-68-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=57472-68-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "NK Ester APG 100",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:57472-68-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=57472-68-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Oxybis(methyl-2,1-ethanediyl) diacrylate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:57472-68-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=57472-68-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Photomer 4226TF",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:57472-68-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=57472-68-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sartomer SR 508",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:57472-68-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=57472-68-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sartomer SR 508NS",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:57472-68-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=57472-68-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "SR 508NS",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:57472-68-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=57472-68-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C12H18O5",
"C12H22O7"
],
"attested_by": {
"C12H18O5": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
],
"C12H22O7": [
"enrich_references.pubchem_semantic"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3034434",
"CID:23447151",
"CID:57351088",
"CID:71306747"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CC(=O)OC(C)COCC(C)OC(=O)C=C"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"BPUPTQUTGHCAHD-UHFFFAOYSA-N",
"FDUBMLURRHGVRD-GGWOSOGESA-N",
"RNJVAUBBYGWVBF-UHFFFAOYSA-N",
"WJVNLGUHAAAGAR-UHFFFAOYSA-N"
],
"attested_by": {
"BPUPTQUTGHCAHD-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic"
],
"FDUBMLURRHGVRD-GGWOSOGESA-N": [
"enrich_references.pubchem_semantic"
],
"RNJVAUBBYGWVBF-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
],
"WJVNLGUHAAAGAR-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3034434",
"CID:23447151",
"CID:57351088",
"CID:71306747"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CC(=O)OC(C)COCC(C)OC(=O)C=C"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"C=CC(=O)OC(C)COCC(C)OC(=O)C=C"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Oxydipropane-1,2-diyl Bisacrylate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CC(=O)OC(C)COCC(C)OC(=O)C=C"
]
}
],
"attested_by": {
"C=CC(=O)OC(C)COCC(C)OC(=O)C=C": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C12H18O5/c1-5-11(13)16-9(3)7-15-8-10(4)17-12(14)6-2/h5-6,9-10H,1-2,7-8H2,3-4H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Oxydipropane-1,2-diyl Bisacrylate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CC(=O)OC(C)COCC(C)OC(=O)C=C"
]
}
],
"attested_by": {
"InChI=1S/C12H18O5/c1-5-11(13)16-9(3)7-15-8-10(4)17-12(14)6-2/h5-6,9-10H,1-2,7-8H2,3-4H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Oxydipropane-1,2-diyl Bisacrylate"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Oxydipropane-1,2-diyl Bisacrylate"
]
},
"attested_by": {
"Oxydipropane-1,2-diyl Bisacrylate": [
"opsin_iupac"
]
}
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.660.146B",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3034434;CAS:57472-68-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[57472-68-1]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.055.213",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3034434;CAS:57472-68-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[57472-68-1]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=57472-68-1",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"57472-68-1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID50892316",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3034434;CAS:57472-68-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[57472-68-1]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/V6VF72053S",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3034434;CAS:57472-68-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[57472-68-1]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/23447151",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:23447151;CAS:57472-68-1"
],
"prov:wasDerivedFrom": "pubchem.by_cas[57472-68-1]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/3034434",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3034434;CAS:57472-68-1"
],
"prov:wasDerivedFrom": "pubchem.by_cas[57472-68-1]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/57351088",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:57351088;CAS:57472-68-1"
],
"prov:wasDerivedFrom": "pubchem.by_cas[57472-68-1]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/71306747",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:71306747;CAS:57472-68-1"
],
"prov:wasDerivedFrom": "pubchem.by_cas[57472-68-1]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27291601",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3034434;CAS:57472-68-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[57472-68-1]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "23218302-9d3b-485f-a37d-358bf3fa5ea4",
"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": [
"57472-68-1"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=57472-68-1"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=57472-68-1"
}
],
"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": [
"260-754-3"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=260-754-3"
],
"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"
]
}
