Flow object JSON
{
"flow_object_id": "fo-d0d38500a019feef",
"prefLabel": [
{
"@value": "Urbacid",
"@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": "Bis(dimethylthiocarbamylthio)methyl arsine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2445-07-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2445-07-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Carbamic acid, dimethyldithio-, bis(anhydrosulfide) with dithiomethanearsonous acid",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2445-07-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2445-07-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Carbamodithioic acid, dimethyl-, bis(anhydrosulfide) with methylarsonodithious acid",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2445-07-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2445-07-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Carbamodithioic acid, N,N-dimethyl-, C,C′-bis(anhydrosulfide) with As-methylarsonodithious acid",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2445-07-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2445-07-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Methyl arsine-bis(dimethyldithiocarbamate)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2445-07-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2445-07-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Methylbis(dimethylthiocarbamoylthio)arsine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2445-07-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2445-07-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Urbacide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2445-07-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2445-07-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C7H15AsN2S4"
],
"attested_by": {
"C7H15AsN2S4": [
"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:17128"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN(C)C(=S)S[As](C)SC(=S)N(C)C"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"FRDDEJAABOMVCH-UHFFFAOYSA-N"
],
"attested_by": {
"FRDDEJAABOMVCH-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:17128"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN(C)C(=S)S[As](C)SC(=S)N(C)C"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"CN(C)C(=S)S[As](C)SC(=S)N(C)C"
],
"attested_by": {
"CN(C)C(=S)S[As](C)SC(=S)N(C)C": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "SMILES",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:17128"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN(C)C(=S)S[As](C)SC(=S)N(C)C"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C7H15AsN2S4/c1-8(13-6(11)9(2)3)14-7(12)10(4)5/h1-5H3"
],
"attested_by": {
"InChI=1S/C7H15AsN2S4/c1-8(13-6(11)9(2)3)14-7(12)10(4)5/h1-5H3": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChI",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:17128"
],
"prov:wasDerivedFrom": "pubchem.props.InChI"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN(C)C(=S)S[As](C)SC(=S)N(C)C"
]
}
]
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"N,N-dimethylcarbamodithioic acid [(dimethylthiocarbamoylthio)-methyl-arsino] ester",
"N,N-dimethylcarbamodithioic acid [[[dimethylamino(sulfanylidene)methyl]thio]-methylarsino] ester",
"[dimethylcarbamothioylsulfanyl(methyl)arsanyl] N,N-dimethylcarbamodithioate"
],
"attested_by": {
"N,N-dimethylcarbamodithioic acid [(dimethylthiocarbamoylthio)-methyl-arsino] ester": [
"enrich_references.pubchem_semantic"
],
"N,N-dimethylcarbamodithioic acid [[[dimethylamino(sulfanylidene)methyl]thio]-methylarsino] ester": [
"enrich_references.pubchem_semantic"
],
"[dimethylcarbamothioylsulfanyl(methyl)arsanyl] N,N-dimethylcarbamodithioate": [
"enrich_references.pubchem_semantic"
]
},
"rdfs:label": "IUPAC name",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:17128"
],
"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
330.401
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN(C)C(=S)S[As](C)SC(=S)N(C)C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN(C)C(=S)S[As](C)SC(=S)N(C)C"
]
}
],
"attested_by": {
"330.401": [
"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": [
329.933404
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN(C)C(=S)S[As](C)SC(=S)N(C)C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN(C)C(=S)S[As](C)SC(=S)N(C)C"
]
}
],
"attested_by": {
"329.933404": [
"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=J21.065J",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:17128;CAS:2445-07-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2445-07-0]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=2445-07-0",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:17128;CAS:2445-07-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2445-07-0]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID50179210",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:17128;CAS:2445-07-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2445-07-0]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/341POS0YBM",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:17128;CAS:2445-07-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2445-07-0]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/17128",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:17128;CAS:2445-07-0"
],
"prov:wasDerivedFrom": "pubchem.by_cas[2445-07-0]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27256321",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:17128;CAS:2445-07-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2445-07-0]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "01ecab3c-5276-40a5-a52e-53772b0e3cf7",
"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": [
"2445-07-0"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=2445-07-0"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=2445-07-0"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}
