Flow object JSON
{
"flow_object_id": "fo-24f914f83aeebb64",
"prefLabel": [
{
"@value": "2,3-xylidine",
"@language": "en",
"@lang": "en",
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"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "2,3-Dimethylaniline",
"@language": "en",
"@lang": "en",
"provenance": {
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,3-Dimethylbenzenamine",
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"@lang": "en",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,3-Dimethylphenylamine",
"@language": "en",
"@lang": "en",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,3-Xylylamine",
"@language": "en",
"@lang": "en",
"provenance": {
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3-Amino-o-xylene",
"@language": "en",
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"provenance": {
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benzenamine, 2,3-dimethyl-",
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"@lang": "en",
"provenance": {
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],
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}
}
],
"properties": {
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"@value": [
"C8H11N"
],
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},
"rdfs:label": "Molecular formula",
"provenance": [
{
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"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
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"prov:hadPrimarySource": [
"Cc1cccc(N)c1C"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
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],
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},
"rdfs:label": "InChIKey",
"provenance": [
{
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{
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"prov:hadPrimarySource": [
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}
]
},
"https://w3id.org/chemrof/smiles_string": {
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"rdfs:label": "SMILES",
"@value": [
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],
"provenance": [
{
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},
{
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}
],
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}
},
"https://w3id.org/chemrof/inchi2d_string": {
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"rdfs:label": "InChI",
"@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/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": {
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"rdfs:label": "Molecular mass",
"@value": [
121.183
],
"provenance": [
{
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]
},
{
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"prov:hadPrimarySource": [
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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": [
121.089149
],
"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=J3.537H",
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},
{
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{
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},
{
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{
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{
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},
{
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{
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},
{
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{
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{
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},
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},
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"@type": [
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}