Consensus flow list

Identity

Type
NeutralMolecule
CAS
467-69-6
EC
207-397-1
Origin
ecoinvent-3.12 hybrid_name_cas_v1
Changes
0 across every transformer

Structure

Structure diagram for Flurenol

What it is used for

3

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
herbicide CHEBI:24527 A substance used to destroy plant pests. Curated
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. Curated
plant growth regulator CHEBI:26155 A chemical, natural or artificial, that can affect the rate of growth of a plant. Curated

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string GXAMYUGOODKVRM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H10O3/c15-13(16)14(17)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,17H,(H,15,16)
Molecular formula chemrof:molecular_formula C14H10O3
Molecular mass chemrof:molecular_mass 226.231
Monoisotopic mass chemrof:monoisotopic_mass 226.06299, 226.062994
SMILES string chemrof:smiles_string O=C(O)C1(O)c2ccccc2-c2ccccc21

Known URLs

4

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=467-69-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82015 enrich_references.chebi_id_link
KEGG https://www.genome.jp/entry/C18856 enrich_references.chebi_xrefs
ppdb ppdb:344 enrich_references.chebi_xrefs

Elementary flows

7
Flow Context Source Unit CFs
954786e99d7e80bd54647d1513f8860e20f42306 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) ecoinvent algorithm addition kg 0
8d640517d7ad2b06bb6fc1d6ede8726e06059db4 Environmental → Air → Unknown ecoinvent algorithm addition kg 0
6166f5f162a7a58057acd90a01e84350eac858f2 Environmental → Ground → Agricultural ecoinvent algorithm addition kg 0
f7ba795f3ea2f8f26616dbdf7485975be9289e1a Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
5215f352c5371fda4bf99cc098ef7847d7baaf87 Environmental → Ground → Unknown ecoinvent algorithm addition kg 0
bd3ef8aa27aae9aee7e5f6c8429fe54907848abe Environmental → Water → Surface water ecoinvent algorithm addition kg 0
39f2539b2961670facf9dc7e2aa334ebbc0f609f Environmental → Water → Unknown ecoinvent algorithm addition kg 0

History

Everything that changed this substance (0 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-d1c9463f1437d770",
  "prefLabel": [
    {
      "@value": "Flurenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ecoinvent-3.12"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C14H10O3"
      ],
      "attested_by": {
        "C14H10O3": [
          "enrich_references.chebi_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
        },
        {
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          "prov:hadPrimarySource": [
            "O=C(O)C1(O)c2ccccc2-c2ccccc21"
          ]
        }
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    },
    "https://w3id.org/chemrof/smiles_string": {
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        "O=C(O)C1(O)c2ccccc2-c2ccccc21"
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      "attested_by": {
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        ]
      },
      "rdfs:label": "SMILES",
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            "O=C(O)C1(O)c2ccccc2-c2ccccc21"
          ]
        }
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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        "InChI=1S/C14H10O3/c15-13(16)14(17)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,17H,(H,15,16)"
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "GXAMYUGOODKVRM-UHFFFAOYSA-N"
      ],
      "attested_by": {
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      },
      "rdfs:label": "InChIKey",
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      ],
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        ]
      },
      "rdfs:label": "Molecular mass",
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      "provenance": [
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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      "@value": [
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        226.062994
      ],
      "attested_by": {
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          "enrich_references.chebi_semantic"
        ],
        "226.062994": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "rdfs:label": "Monoisotopic mass",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
      "provenance": [
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          "prov:wasDerivedFrom": "chebi.basic_property_values.monoisotopic_mass"
        },
        {
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          ]
        },
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            "O=C(O)C1(O)c2ccccc2-c2ccccc21"
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    },
    "https://w3id.org/chemrof/elemental_charge": {
      "@id": "https://w3id.org/chemrof/elemental_charge",
      "@value": [
        0
      ],
      "attested_by": {
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      },
      "rdfs:label": "Elemental charge",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/NUM",
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        "prov:wasDerivedFrom": "chebi.basic_property_values.charge"
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  },
  "references": [
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    "semantic_typing": {
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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  "http://purl.obolibrary.org/obo/RO_0000087": [
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  ]
}

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