Flow object JSON
{
"flow_object_id": "fo-c308c12de8e91811",
"prefLabel": [
{
"@value": "Fatty Acids, C16-18 (even Numbered), Esters With Ethylene Glycol",
"@language": "en",
"@lang": "en",
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],
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}
],
"altLabel": [
{
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"EF 3.1",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
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"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C36H70O5"
],
"attested_by": {
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"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
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],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC(=O)OCCO"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"ORMITEZVQRRABL-UHFFFAOYSA-N"
],
"attested_by": {
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},
"rdfs:label": "InChIKey",
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{
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},
{
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"prov:hadPrimarySource": [
"CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC(=O)OCCO"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC(=O)OCCO"
],
"attested_by": {
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},
"rdfs:label": "SMILES",
"provenance": [
{
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"prov:wasDerivedFrom": "pubchem.props.SMILES"
},
{
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]
}
]
},
"https://w3id.org/chemrof/inchi2d_string": {
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"@value": [
"InChI=1S/C36H70O5/c1-2-3-4-5-6-7-8-12-15-18-21-24-27-30-35(38)40-33-29-26-23-20-17-14-11-9-10-13-16-19-22-25-28-31-36(39)41-34-32-37/h37H,2-34H2,1H3"
],
"attested_by": {
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},
"rdfs:label": "InChI",
"provenance": [
{
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"prov:wasDerivedFrom": "pubchem.props.InChI"
},
{
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"prov:hadPrimarySource": [
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]
}
]
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"18-(1-oxohexadecoxy)octadecanoic acid 2-hydroxyethyl ester",
"18-hexadecanoyloxystearic acid 2-hydroxyethyl ester",
"2-hydroxyethyl 18-hexadecanoyloxyoctadecanoate"
],
"attested_by": {
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"enrich_references.pubchem_semantic"
],
"18-hexadecanoyloxystearic acid 2-hydroxyethyl ester": [
"enrich_references.pubchem_semantic"
],
"2-hydroxyethyl 18-hexadecanoyloxyoctadecanoate": [
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},
"rdfs:label": "IUPAC name",
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"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
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],
"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": [
582.522325
],
"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": "https://commonchemistry.cas.org/detail?cas_rn=91031-31-1",
"provenance": {
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}
},
{
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}
],
"created_from": {
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"seed_uuid": "04cd2946-8bfc-4069-9c76-0fa1972d18c9",
"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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"http://www.w3.org/2004/02/skos/core#exactMatch": [
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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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]
}
