Flow object JSON
{
"flow_object_id": "fo-79a9803d0c7980b9",
"prefLabel": [
{
"@value": "Methacrylamide Sulfate",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
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"ecoinvent-3.12"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "2-Propenamide, 2-methyl-, sulfate",
"@language": "en",
"@lang": "en",
"provenance": {
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Propenamide, 2-methyl-, sulfate (1:?)",
"@language": "en",
"@lang": "en",
"provenance": {
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"ecoinvent-3.12",
"https://commonchemistry.cas.org/detail?cas_rn=29194-31-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Methacrylamide, sulfate",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
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"CAS:29194-31-8",
"ecoinvent-3.12",
"https://commonchemistry.cas.org/detail?cas_rn=29194-31-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/IUPAC_name": {
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"rdfs:label": "IUPAC name",
"@value": [
"Methacrylamide Sulfate"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Methacrylamide Sulfate"
]
},
"attested_by": {
"Methacrylamide Sulfate": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"C=C(C)C(=N)O.O=S(=O)(O)O"
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_authoritative",
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"prov:hadPrimarySource": [
"InChI=1S/C4H7NO.H2O4S/c1-3(2)4(5)6;1-5(2,3)4/h1H2,2H3,(H2,5,6);(H2,1,2,3,4)"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=C(C)C(=N)O.O=S(=O)(O)O"
]
}
],
"attested_by": {
"C=C(C)C(=N)O.O=S(=O)(O)O": [
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"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C4H7NO.H2O4S/c1-3(2)4(5)6;1-5(2,3)4/h1H2,2H3,(H2,5,6);(H2,1,2,3,4)"
],
"provenance": [
{
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"prov:hadPrimarySource": [
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]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
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"prov:hadPrimarySource": [
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]
}
],
"attested_by": {
"InChI=1S/C4H7NO.H2O4S/c1-3(2)4(5)6;1-5(2,3)4/h1H2,2H3,(H2,5,6);(H2,1,2,3,4)": [
"rdkit_authoritative",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"rdfs:label": "InChIKey",
"@value": [
"NTQWADDNQQUGRH-UHFFFAOYSA-N"
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_authoritative",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"InChI=1S/C4H7NO.H2O4S/c1-3(2)4(5)6;1-5(2,3)4/h1H2,2H3,(H2,5,6);(H2,1,2,3,4)"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=C(C)C(=N)O.O=S(=O)(O)O"
]
}
],
"attested_by": {
"NTQWADDNQQUGRH-UHFFFAOYSA-N": [
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"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"rdfs:label": "Molecular formula",
"@value": [
"C4H9NO5S"
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_authoritative",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"InChI=1S/C4H7NO.H2O4S/c1-3(2)4(5)6;1-5(2,3)4/h1H2,2H3,(H2,5,6);(H2,1,2,3,4)"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=C(C)C(=N)O.O=S(=O)(O)O"
]
}
],
"attested_by": {
"C4H9NO5S": [
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"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
183.185
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_authoritative",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"InChI=1S/C4H7NO.H2O4S/c1-3(2)4(5)6;1-5(2,3)4/h1H2,2H3,(H2,5,6);(H2,1,2,3,4)"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=C(C)C(=N)O.O=S(=O)(O)O"
]
}
],
"attested_by": {
"183.185": [
"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": [
183.020143
],
"provenance": [
{
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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]
}
],
"attested_by": {
"183.020143": [
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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=29194-31-8",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"29194-31-8"
],
"prov:wasDerivedFrom": "cas_numbers"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "ac52a8fa-d727-454e-9769-293445220f7b",
"seed_source": "ecoinvent-3.12",
"semantic_typing": {
"rule": "multi_component_neutral",
"reason": "",
"types": [
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],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.multi_component_neutral"
}
}
},
"classifications": {
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"@value": [
"29194-31-8"
],
"rdfs:seeAlso": [
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],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
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}
],
"provenance": {
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],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"249-497-8"
],
"rdfs:seeAlso": [
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],
"provenance": {
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],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
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]
}