Flow object JSON
{
"flow_object_id": "fo-95a35b01492b0217",
"prefLabel": [
{
"@value": "Butatriene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ecoinvent-3.12"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "1,2,3-butatriene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ecoinvent-3.12",
"http://purl.obolibrary.org/obo/CHEBI_37609"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "CH2=C=C=CH2",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ecoinvent-3.12",
"http://purl.obolibrary.org/obo/CHEBI_37609"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "buta-1,2,3-triene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ecoinvent-3.12",
"http://purl.obolibrary.org/obo/CHEBI_37609"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"rdfs:label": "Molecular formula",
"@value": [
"C4H4"
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_authoritative",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"InChI=1S/C4H4/c1-3-4-2/h1-2H2"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=C=C=C"
]
}
],
"attested_by": {
"C4H4": [
"rdkit_authoritative",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"C=C=C=C"
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_authoritative",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"InChI=1S/C4H4/c1-3-4-2/h1-2H2"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=C=C=C"
]
}
],
"attested_by": {
"C=C=C=C": [
"rdkit_authoritative",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C4H4/c1-3-4-2/h1-2H2"
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_authoritative",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"InChI=1S/C4H4/c1-3-4-2/h1-2H2"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=C=C=C"
]
}
],
"attested_by": {
"InChI=1S/C4H4/c1-3-4-2/h1-2H2": [
"rdkit_authoritative",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"rdfs:label": "InChIKey",
"@value": [
"WHVXVDDUYCELKP-UHFFFAOYSA-N"
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_authoritative",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"InChI=1S/C4H4/c1-3-4-2/h1-2H2"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=C=C=C"
]
}
],
"attested_by": {
"WHVXVDDUYCELKP-UHFFFAOYSA-N": [
"rdkit_authoritative",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
52.076
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_authoritative",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"InChI=1S/C4H4/c1-3-4-2/h1-2H2"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=C=C=C"
]
}
],
"attested_by": {
"52.076": [
"rdkit_authoritative",
"rdkit_post_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": [
52.0313
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_authoritative",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"InChI=1S/C4H4/c1-3-4-2/h1-2H2"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=C=C=C"
]
}
],
"attested_by": {
"52.0313": [
"rdkit_authoritative",
"rdkit_post_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"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_37609"
],
"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": [
"Butatriene"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Butatriene"
]
},
"attested_by": {
"Butatriene": [
"opsin_iupac"
]
}
}
},
"references": [
{
"@id": "beilstein:1718757",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_37609"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=2873-50-9",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_37609"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:37609",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_id_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_37609"
],
"prov:wasDerivedFrom": "chebi.id"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "185ad067-02f3-4e37-a2d0-43a8735d9f43",
"seed_source": "ecoinvent-3.12",
"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": [
"2873-50-9"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=2873-50-9"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=2873-50-9"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ecoinvent-3.12"
],
"prov:wasDerivedFrom": "cas_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"http://www.w3.org/2004/02/skos/core#definition": [
{
"@value": "A cumulene containing 3 double bonds with formula C4H4.",
"@language": "en",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_definition",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_37609"
],
"prov:wasDerivedFrom": "chebi.definition"
}
}
],
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}
