Flow object JSON
{
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"prefLabel": [
{
"@value": "Guazatine",
"@language": "en",
"@lang": "en",
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"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "1,1'-(iminodioctane-8,1-diyl)diguanidine",
"@language": "en",
"@lang": "en",
"provenance": {
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"ecoinvent-3.12",
"http://purl.obolibrary.org/obo/CHEBI_5569"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
}
],
"properties": {
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"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C18H41N7"
],
"attested_by": {
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]
},
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{
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],
"prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
},
{
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N=C(N)NCCCCCCCCNCCCCCCCCNC(=N)N"
]
}
]
},
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"rdfs:label": "SMILES",
"@value": [
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],
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{
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},
{
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]
}
],
"attested_by": {
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}
},
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"@value": [
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],
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{
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},
{
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]
}
],
"attested_by": {
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}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
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},
"rdfs:label": "InChIKey",
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{
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"prov:wasDerivedFrom": "chebi.basic_property_values.inchi_key_string"
},
{
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"prov:hadPrimarySource": [
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]
}
]
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"@value": [
355.575
],
"attested_by": {
"355.575": [
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"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular mass",
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"provenance": [
{
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"prov:wasDerivedFrom": "chebi.basic_property_values.mass"
},
{
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]
}
]
},
"https://w3id.org/chemrof/monoisotopic_mass": {
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355.342344
],
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},
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{
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],
"prov:wasDerivedFrom": "chebi.basic_property_values.monoisotopic_mass"
},
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
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]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N=C(N)NCCCCCCCCNCCCCCCCCNC(=N)N"
]
}
]
},
"https://w3id.org/chemrof/elemental_charge": {
"@id": "https://w3id.org/chemrof/elemental_charge",
"@value": [
0
],
"attested_by": {
"0": [
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},
"rdfs:label": "Elemental charge",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/NUM",
"provenance": {
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],
"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": [
"1,1'-(iminodioctane-8,1-diyl)diguanidine"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
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"prov:hadPrimarySource": [
"1,1'-(iminodioctane-8,1-diyl)diguanidine"
]
},
"attested_by": {
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}
}
},
"references": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=13516-27-3",
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},
{
"@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:5569",
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},
{
"@id": "https://www.genome.jp/entry/C10997",
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},
{
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},
{
"@id": "pesticides:iminoctadine",
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},
{
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},
{
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],
"created_from": {
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"seed_source": "ecoinvent-3.12",
"semantic_typing": {
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"reason": "",
"types": [
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],
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}
},
"classifications": {
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],
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],
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},
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"prov:wasDerivedFrom": "ec_numbers"
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}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"http://www.w3.org/2004/02/skos/core#definition": [
{
"@value": "A member of the class of guanidines that is dioctylamine in which a hydrogen from each of the terminal methyl groups is replaced by a guanidino group. Once used as a fungicidal seed dressing, it is no longer approved for use in the European Union.",
"@language": "en",
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],
"@type": [
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],
"http://purl.obolibrary.org/obo/RO_0000087": [
{
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},
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_24127",
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{
"@id": "http://purl.obolibrary.org/obo/CHEBI_25944",
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]
}
