Flow object JSON
{
"flow_object_id": "fo-3f3b3fee9662eefa",
"prefLabel": [
{
"@value": "2,6,8-trimethylnonan-4-ol",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "2,6,8-Trimethyl-4-nonanol",
"@language": "en",
"@lang": "en",
"provenance": {
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"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=123-17-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4-Nonanol, 2,6,8-trimethyl-",
"@language": "en",
"@lang": "en",
"provenance": {
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C12H26O"
],
"attested_by": {
"C12H26O": [
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"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
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"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
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"prov:hadPrimarySource": [
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]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
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"@value": [
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],
"attested_by": {
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},
"rdfs:label": "InChIKey",
"provenance": [
{
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],
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},
{
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]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
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"rdfs:label": "SMILES",
"@value": [
"CC(C)CC(C)CC(O)CC(C)C"
],
"provenance": [
{
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]
},
{
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]
}
],
"attested_by": {
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]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C12H26O/c1-9(2)6-11(5)8-12(13)7-10(3)4/h9-13H,6-8H2,1-5H3"
],
"provenance": [
{
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]
},
{
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]
}
],
"attested_by": {
"InChI=1S/C12H26O/c1-9(2)6-11(5)8-12(13)7-10(3)4/h9-13H,6-8H2,1-5H3": [
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]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
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"rdfs:label": "IUPAC name",
"@value": [
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],
"provenance": {
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]
},
"attested_by": {
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]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
186.339
],
"provenance": [
{
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]
},
{
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]
}
],
"attested_by": {
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]
},
"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": [
186.198365
],
"provenance": [
{
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]
},
{
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]
}
],
"attested_by": {
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]
},
"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=J34.591A",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
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],
"prov:wasDerivedFrom": "pubchem.identifiers[123-17-1]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.004.189",
"provenance": {
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],
"prov:wasDerivedFrom": "pubchem.identifiers[123-17-1]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=123-17-1",
"provenance": {
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],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID8029159",
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}
},
{
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},
{
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},
{
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},
{
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},
{
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],
"created_from": {
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"seed_uuid": "001768f1-7b75-4a02-ac41-973af78f96a2",
"seed_source": "EF 3.1",
"semantic_typing": {
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"reason": "",
"types": [
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],
"provenance": {
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}
}
},
"classifications": {
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],
"rdfs:seeAlso": [
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],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
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],
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},
"http://semanticscience.org/resource/CHEMINF_000447": {
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],
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],
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}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
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]
}
