← Back to consensus flows

Carbonic acid, 2-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]ethyl phenyl ester

UUID d0c594d4-1858-4d07-851a-ba4fe4f49017
Flow Object IDfo-b0d3c142c5c655af
Source EF 3.1
Context Environmental → Ground → Agricultural
CAS Numbers 28173-59-3
EC Numbers 248-882-8
prefLabel
Language Value Provenance
en Carbonic acid, 2-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]ethyl phenyl ester
altLabel
Language Value Provenance
en 2-[(1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]ethyl phenyl carbonate
en Carbonic acid, phenyl ester, 2-ester with 1-amino-4-hydroxy-2-(2-hydroxyethoxy)anthraquinone
en 2-[(1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]ethyl Phenyl Carbonate
References
Shared Properties
Predicate Value
InChIKey GLLYQJVICPAIGW-UHFFFAOYSA-N
InChI InChI=1S/C23H17NO7/c24-20-17(29-10-11-30-23(28)31-13-6-2-1-3-7-13)12-16(25)18-19(20)22(27)15-9-5-4-8-14(15)21(18)26/h1-9,12,25H,10-11,24H2
IUPAC name 2-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxyethyl phenyl carbonate, 2-[(1-amino-4-hydroxy-9,10-dioxo-2-anthryl)oxy]ethyl phenyl carbonate, 2-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]oxyethyl phenyl carbonate, carbonic acid 2-[(1-amino-4-hydroxy-9,10-diketo-2-anthryl)oxy]ethyl phenyl ester, carbonic acid 2-[(1-amino-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]ethyl phenyl ester
Molecular formula C23H17NO7
SMILES C1=CC=C(C=C1)OC(=O)OCCOC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 d0c594d4-1858-4d07-851a-ba4fe4f49017 2-[(1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]ethyl phenyl carbonate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 2-[(1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]ethyl phenyl carbonate Emissions/Emissions to soil/Emissions to agricultural soil kg exactMatch

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 consensus_match group_key=2-[(1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]ethylphenylcarbonate||dimension=Environmental > media=Water > water_body=Unknown; cas=28173-59-3; added Common Chemistry CAS names as altLabel: 2-[(1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]ethyl phenyl carbonate, Carbonic acid, 2-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]ethyl phenyl ester, Carbonic acid, phenyl ester, 2-ester with 1-amino-4-hydroxy-2-(2-hydroxyethoxy)anthraquinone; object_uuid=fo-b0d3c142c5c655af
cas_match_labels 1 consensus_match group_key=2-[(1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]ethylphenylcarbonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'28173-59-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b0d3c142c5c655af: {'28173-59-3': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyAgricultural

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '2-[(1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]ethyl phenyl carbonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28173-59-3', 'https://commonchemistry.cas.org/detail?cas_rn=28173-59-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Carbonic acid, 2-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]ethyl phenyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28173-59-3', 'https://commonchemistry.cas.org/detail?cas_rn=28173-59-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Carbonic acid, phenyl ester, 2-ester with 1-amino-4-hydroxy-2-(2-hydroxyethoxy)anthraquinone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28173-59-3', 'https://commonchemistry.cas.org/detail?cas_rn=28173-59-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2-[(1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]ethylphenylcarbonate||dimension=Environmental > media=Water > water_body=Unknown; cas=28173-59-3; added Common Chemistry CAS names as altLabel: 2-[(1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]ethyl phenyl carbonate, Carbonic acid, 2-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]ethyl phenyl ester, Carbonic acid, phenyl ester, 2-ester with 1-amino-4-hydroxy-2-(2-hydroxyethoxy)anthraquinone; object_uuid=fo-b0d3c142c5c655af
cas_match_labels None {'28173-59-3': 'exactMatch'} group_key=2-[(1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]ethylphenylcarbonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'28173-59-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b0d3c142c5c655af: {'28173-59-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "d0c594d4-1858-4d07-851a-ba4fe4f49017",
  "name": null,
  "cas_numbers": [
    "28173-59-3"
  ],
  "ec_numbers": [
    "248-882-8"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Agricultural"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 0.62188
    },
    {
      "method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 0.62188
    }
  ],
  "source": "EF 3.1",
  "identifier": "d0c594d4-1858-4d07-851a-ba4fe4f49017",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "d0c594d4-1858-4d07-851a-ba4fe4f49017",
      "source_flow_name": "2-[(1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]ethyl phenyl carbonate",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to soil",
          "Emissions to agricultural soil"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Carbonic acid, 2-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]ethyl phenyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:28173-59-3",
          "CID:119885"
        ],
        "prov:wasDerivedFrom": "pubchem record title"
      }
    }
  ],
  "_sources": {
    "prefLabel": "pubchem_readable_name",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "enrich_references",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "pubchem_readable_name",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-agri",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C23H17NO7"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:119885"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "GLLYQJVICPAIGW-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:119885"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1=CC=C(C=C1)OC(=O)OCCOC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:119885"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C23H17NO7/c24-20-17(29-10-11-30-23(28)31-13-6-2-1-3-7-13)12-16(25)18-19(20)22(27)15-9-5-4-8-14(15)21(18)26/h1-9,12,25H,10-11,24H2"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:119885"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "2-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxyethyl phenyl carbonate",
        "2-[(1-amino-4-hydroxy-9,10-dioxo-2-anthryl)oxy]ethyl phenyl carbonate",
        "2-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]oxyethyl phenyl carbonate",
        "carbonic acid 2-[(1-amino-4-hydroxy-9,10-diketo-2-anthryl)oxy]ethyl phenyl ester",
        "carbonic acid 2-[(1-amino-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]ethyl phenyl ester"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:119885"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J32.706I",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:119885;CAS:28173-59-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[28173-59-3]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.044.424",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:119885;CAS:28173-59-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[28173-59-3]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=28173-59-3",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "28173-59-3"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID8067361",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:119885;CAS:28173-59-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[28173-59-3]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/119885",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:119885;CAS:28173-59-3"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[28173-59-3]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q81993944",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:119885;CAS:28173-59-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[28173-59-3]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-[(1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]ethyl phenyl carbonate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:28173-59-3",
          "https://commonchemistry.cas.org/detail?cas_rn=28173-59-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Carbonic acid, phenyl ester, 2-ester with 1-amino-4-hydroxy-2-(2-hydroxyethoxy)anthraquinone",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:28173-59-3",
          "https://commonchemistry.cas.org/detail?cas_rn=28173-59-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-[(1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]ethyl Phenyl Carbonate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "d0c594d4-1858-4d07-851a-ba4fe4f49017"
        ],
        "prov:wasDerivedFrom": "previous prefLabel"
      }
    }
  ],
  "cas_match_labels": {
    "28173-59-3": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/d0c594d4-1858-4d07-851a-ba4fe4f49017",
        "skos:prefLabel": "2-[(1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]ethyl phenyl carbonate",
        "context": "Emissions/Emissions to soil/Emissions to agricultural soil",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/d0c594d4-1858-4d07-851a-ba4fe4f49017"
      },
      "xkos:mapType": {
        "@id": "http://www.w3.org/2004/02/skos/core#exactMatch"
      },
      "provenance": {
        "prov:wasGeneratedBy": "build_concept_associations",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
        ]
      }
    }
  ],
  "flow_object_id": "fo-b0d3c142c5c655af"
}