2,3,4,4'-Tetrahydroxybenzophenone

← Back to consensus flows

2,3,4,4'-Tetrahydroxybenzophenone

UUID 8a8ac214-1b06-4104-879c-1080554867d4

Flow Object ID fo-038560a8e34c1b85

Source EF 3.1

Context Environmental → Water → Ocean

CAS Numbers 31127-54-5

EC Numbers 447-000-0

prefLabel

Language	Value	Provenance
`en`	`2,3,4,4'-Tetrahydroxybenzophenone`

altLabel ⓘ

Language	Value	Provenance
`en`	`(4-Hydroxyphenyl)(2,3,4-trihydroxyphenyl)methanone`
`en`	`2,3,4,4′-Tetrahydroxybenzophenone`
`en`	`4,2′,3′,4′-Tetrahydroxybenzophenone`
`en`	`Benzophenone, 2,3,4,4′-tetrahydroxy-`
`en`	`HBP 2344`
`en`	`Methanone, (4-hydroxyphenyl)(2,3,4-trihydroxyphenyl)-`
`en`	`Thbp`

References

Shared Properties

Predicate	Value
InChIKey	`ZRDYULMDEGRWRC-UHFFFAOYSA-N`
InChI	`InChI=1S/C13H10O5/c14-8-3-1-7(2-4-8)11(16)9-5-6-10(15)13(18)12(9)17/h1-6,14-15,17-18H`
IUPAC name	`(4-hydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone, (4-hydroxyphenyl)-[2,3,4-tris(oxidanyl)phenyl]methanone`
Molecular formula	`C13H10O5`
SMILES	`C1=CC(=CC=C1C(=O)C2=C(C(=C(C=C2)O)O)O)O`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`8a8ac214-1b06-4104-879c-1080554867d4`	thbp

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	thbp	Emissions/Emissions to water/Emissions to sea water	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=thbp\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=31127-54-5; added Common Chemistry CAS names as altLabel: (4-Hydroxyphenyl)(2,3,4-trihydroxyphenyl)methanone, 2,3,4,4′-Tetrahydroxybenzophenone, 4,2′,3′,4′-Tetrahydroxybenzophenone, Benzophenone, 2,3,4,4′-tetrahydroxy-, HBP 2344, Methanone, (4-hydroxyphenyl)(2,3,4-trihydroxyphenyl)-; object_uuid=fo-038560a8e34c1b85
`cas_match_labels`	1	`—`	consensus_match	group_key=thbp\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=[]; cas_sources={'31127-54-5': []}; assigned CAS labels from group consensus; object_uuid=fo-038560a8e34c1b85: {'31127-54-5': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Ocean

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '(4-Hydroxyphenyl)(2,3,4-trihydroxyphenyl)methanone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:31127-54-5', 'https://commonchemistry.cas.org/detail?cas_rn=31127-54-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,3,4,4′-Tetrahydroxybenzophenone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:31127-54-5', 'https://commonchemistry.cas.org/detail?cas_rn=31127-54-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4,2′,3′,4′-Tetrahydroxybenzophenone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:31127-54-5', 'https://commonchemistry.cas.org/detail?cas_rn=31127-54-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzophenone, 2,3,4,4′-tetrahydroxy-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:31127-54-5', 'https://commonchemistry.cas.org/detail?cas_rn=31127-54-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'HBP 2344', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:31127-54-5', 'https://commonchemistry.cas.org/detail?cas_rn=31127-54-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methanone, (4-hydroxyphenyl)(2,3,4-trihydroxyphenyl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:31127-54-5', 'https://commonchemistry.cas.org/detail?cas_rn=31127-54-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=thbp\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=31127-54-5; added Common Chemistry CAS names as altLabel: (4-Hydroxyphenyl)(2,3,4-trihydroxyphenyl)methanone, 2,3,4,4′-Tetrahydroxybenzophenone, 4,2′,3′,4′-Tetrahydroxybenzophenone, Benzophenone, 2,3,4,4′-tetrahydroxy-, HBP 2344, Methanone, (4-hydroxyphenyl)(2,3,4-trihydroxyphenyl)-; object_uuid=fo-038560a8e34c1b85
`cas_match_labels`	`None`	`{'31127-54-5': 'exactMatch'}`	group_key=thbp\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=[]; cas_sources={'31127-54-5': []}; assigned CAS labels from group consensus; object_uuid=fo-038560a8e34c1b85: {'31127-54-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "8a8ac214-1b06-4104-879c-1080554867d4",
  "name": null,
  "cas_numbers": [
    "31127-54-5"
  ],
  "ec_numbers": [
    "447-000-0"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Ocean"
  },
  "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": 0.00024496
    },
    {
      "method_uuid": "7cfdcfcf-b222-4b26-888a-a55f9fbf7ac8",
      "name": "Human toxicity, non-cancer",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 4.9564e-10
    },
    {
      "method_uuid": "8c3141e9-1f15-43b5-bff2-182e49893a46",
      "name": "Human toxicity, non-cancer_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 4.9564e-10
    },
    {
      "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": 0.00024496
    }
  ],
  "source": "EF 3.1",
  "identifier": "8a8ac214-1b06-4104-879c-1080554867d4",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "8a8ac214-1b06-4104-879c-1080554867d4",
      "source_flow_name": "thbp",
      "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 water",
          "Emissions to sea water"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "2,3,4,4'-Tetrahydroxybenzophenone",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:31127-54-5",
          "CID:919792"
        ],
        "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-wate-ocea",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C13H10O5"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:919792"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "ZRDYULMDEGRWRC-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:919792"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1=CC(=CC=C1C(=O)C2=C(C(=C(C=C2)O)O)O)O"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:919792"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C13H10O5/c14-8-3-1-7(2-4-8)11(16)9-5-6-10(15)13(18)12(9)17/h1-6,14-15,17-18H"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:919792"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "(4-hydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone",
        "(4-hydroxyphenyl)-[2,3,4-tris(oxidanyl)phenyl]methanone"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:919792"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J93.685E",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:919792;CAS:31127-54-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[31127-54-5]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.130.863",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:919792;CAS:31127-54-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[31127-54-5]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=31127-54-5",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:919792;CAS:31127-54-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[31127-54-5]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID5047956",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:919792;CAS:31127-54-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[31127-54-5]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4LA53WCH2Y",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:919792;CAS:31127-54-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[31127-54-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/919792",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:919792;CAS:31127-54-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[31127-54-5]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182152",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:919792;CAS:31127-54-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[31127-54-5]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q65643380",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:919792;CAS:31127-54-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[31127-54-5]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(4-Hydroxyphenyl)(2,3,4-trihydroxyphenyl)methanone",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:31127-54-5",
          "https://commonchemistry.cas.org/detail?cas_rn=31127-54-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,3,4,4′-Tetrahydroxybenzophenone",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:31127-54-5",
          "https://commonchemistry.cas.org/detail?cas_rn=31127-54-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,2′,3′,4′-Tetrahydroxybenzophenone",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:31127-54-5",
          "https://commonchemistry.cas.org/detail?cas_rn=31127-54-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzophenone, 2,3,4,4′-tetrahydroxy-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:31127-54-5",
          "https://commonchemistry.cas.org/detail?cas_rn=31127-54-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "HBP 2344",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:31127-54-5",
          "https://commonchemistry.cas.org/detail?cas_rn=31127-54-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methanone, (4-hydroxyphenyl)(2,3,4-trihydroxyphenyl)-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:31127-54-5",
          "https://commonchemistry.cas.org/detail?cas_rn=31127-54-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Thbp",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "8a8ac214-1b06-4104-879c-1080554867d4"
        ],
        "prov:wasDerivedFrom": "previous prefLabel"
      }
    }
  ],
  "cas_match_labels": {
    "31127-54-5": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/8a8ac214-1b06-4104-879c-1080554867d4",
        "skos:prefLabel": "thbp",
        "context": "Emissions/Emissions to water/Emissions to sea water",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/8a8ac214-1b06-4104-879c-1080554867d4"
      },
      "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-038560a8e34c1b85"
}