Consensus flow list

Identity

Type
NeutralMolecule
CAS
133220-30-1
EC
Origin
ecoinvent-3.12 hybrid_name_cas_v1
Changes
0 across every transformer

Structure

Structure diagram for Indanofan

What it is used for

2

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

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string PMAAYIYCDXGUAP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C20H17ClO3/c1-2-19(17(22)15-8-3-4-9-16(15)18(19)23)11-20(12-24-20)13-6-5-7-14(21)10-13/h3-10H,2,11-12H2,1H3
Molecular formula chemrof:molecular_formula C20H17ClO3
Molecular mass chemrof:molecular_mass 340.806
Monoisotopic mass chemrof:monoisotopic_mass 340.08662, 340.086622
SMILES string chemrof:smiles_string CCC1(CC2(c3cccc(Cl)c3)CO2)C(=O)c2ccccc2C1=O

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=133220-30-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81769 enrich_references.chebi_id_link
KEGG https://www.genome.jp/entry/C18470 enrich_references.chebi_xrefs
ppdb ppdb:1180 enrich_references.chebi_xrefs

Elementary flows

7
Flow Context Source Unit CFs
35bce0be0fc7b8227e4fd70ffd88c059c6cba7a1 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) ecoinvent algorithm addition kg 0
ddcde28e0915f0f1a932e4a5d71b7a4ad05f58e1 Environmental → Air → Unknown ecoinvent algorithm addition kg 0
74f6b49a26047c729882cac28207da913d1911a5 Environmental → Ground → Agricultural ecoinvent algorithm addition kg 0
6ad20f99cb4018c1a22366caf52072ef2bbeeb6e Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
2498315c304dacbf0e1da94f166f881dfb47b239 Environmental → Ground → Unknown ecoinvent algorithm addition kg 0
d355b4a096a1b9eeea727ac350305dc878a863b8 Environmental → Water → Surface water ecoinvent algorithm addition kg 0
7707701ccdc3060af108f495026ef22a0e2f2e8a 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-25ad80d5311eeb85",
  "prefLabel": [
    {
      "@value": "Indanofan",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "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": [
        "C20H17ClO3"
      ],
      "attested_by": {
        "C20H17ClO3": [
          "enrich_references.chebi_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
        },
        {
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          "prov:hadPrimarySource": [
            "CCC1(CC2(c3cccc(Cl)c3)CO2)C(=O)c2ccccc2C1=O"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
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        "CCC1(CC2(c3cccc(Cl)c3)CO2)C(=O)c2ccccc2C1=O"
      ],
      "attested_by": {
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        ]
      },
      "rdfs:label": "SMILES",
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        },
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "@value": [
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      ],
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      },
      "rdfs:label": "InChI",
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "PMAAYIYCDXGUAP-UHFFFAOYSA-N"
      ],
      "attested_by": {
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      "rdfs:label": "InChIKey",
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        },
        {
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        }
      ]
    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "@value": [
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      ],
      "attested_by": {
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        ]
      },
      "rdfs:label": "Molecular mass",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
      "provenance": [
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        },
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          "prov:hadPrimarySource": [
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "@value": [
        340.08662,
        340.086622
      ],
      "attested_by": {
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          "enrich_references.chebi_semantic"
        ],
        "340.086622": [
          "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"
        },
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
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          "prov:hadPrimarySource": [
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          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
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          ]
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      ]
    },
    "https://w3id.org/chemrof/elemental_charge": {
      "@id": "https://w3id.org/chemrof/elemental_charge",
      "@value": [
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      ],
      "attested_by": {
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      },
      "rdfs:label": "Elemental charge",
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        "prov:wasDerivedFrom": "chebi.basic_property_values.charge"
      }
    }
  },
  "references": [
    {
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  "created_from": {
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    "seed_uuid": "1624038f-2858-5e0d-827f-f90e75901d8e",
    "seed_source": "ecoinvent-3.12",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
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      "provenance": {
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  },
  "classifications": {
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      "rdfs:seeAlso": [
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      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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      "provenance": {
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        "prov:wasDerivedFrom": "cas_numbers"
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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": [
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_24527",
      "rdfs:label": "herbicide",
      "http://www.w3.org/2004/02/skos/core#definition": "A substance used to destroy plant pests.",
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        "prov:wasDerivedFrom": "curated-chebi-roles.json: Indanofan (133220-30-1) -- Herbicide"
      }
    },
    {
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      "rdfs:label": "pesticide",
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      "provenance": {
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        "prov:wasDerivedFrom": "curated-chebi-roles.json: Indanofan (133220-30-1) -- Herbicide"
      }
    }
  ]
}

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