Brightway Flows 1.0
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Benzoximate

fo-6d0fec48662f05f0

Identity

Type
Neutral molecule
CAS
29104-30-1
EC
249-439-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Benzoximate

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
acaricide CHEBI:22153 A substance used to destroy pests of the subclass Acari (mites and ticks). ChEBI
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. ChEBI

Alternative labels

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string BZMIHNKNQJJVRO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H18ClNO5/c1-4-24-20-17(25-18(21)12-8-6-5-7-9-12)15-14(22-2)11-10-13(19)16(15)23-3/h5-11H,4H2,1-3H3
IUPAC name chemrof:IUPAC_name (3-chloro-2,6-dimethoxyphenyl)(ethoxyimino)methyl benzoate
Molecular formula chemrof:molecular_formula C18H18ClNO5
Molecular mass chemrof:molecular_mass 363.797
Monoisotopic mass chemrof:monoisotopic_mass 363.08735
SMILES string chemrof:smiles_string CCON=C(OC(=O)c1ccccc1)c1c(OC)ccc(Cl)c1OC

Known URLs

5

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
beilstein beilstein:2783319 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=29104-30-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38813 enrich_references.chebi_id_link
KEGG https://www.genome.jp/entry/C19021 enrich_references.chebi_xrefs
ppdb ppdb:73 enrich_references.chebi_xrefs

Elementary flows

14
Flow Context Source Unit CFs
ef7b555e-aedc-435b-8f45-7cfaa8caa39f Environmental → Air → Aircraft cruise height EF 3.1 kg 2
3973b383-efaa-4096-b4f4-241a35234581 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
777480d9-16e4-4122-bd81-10405a02dcab Environmental → Air → Indoor EF 3.1 kg 2
9a63c4c9-4bd9-4451-a2b9-2e0a5d862f67 Environmental → Air → Long-term EF 3.1 kg 0
939fe2bb-582e-4c2e-8123-8cb0f4e2b7df Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
ca9b7a09-f926-4632-9e5b-09565d8cc438 Environmental → Air → Unknown EF 3.1 kg 2
ca83fee8-d78b-4333-aa0b-f74c56f29ab1 Environmental → Ground → Agricultural EF 3.1 kg 2
ed80e25a-b75f-43d3-8824-f95648840ec6 Environmental → Ground → Non-agricultural EF 3.1 kg 2
53aafb3e2a1d76b6126e8ddca345ce1ce41f1098 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
f8626e35-1f50-4a7e-921f-c06f07906910 Environmental → Ground → Unknown EF 3.1 kg 2
e879578e-9094-45dd-929f-51a7ca1254f4 Environmental → Water → Long-term EF 3.1 kg 0
3691980f-8e0c-4809-b7de-f2f773de55aa Environmental → Water → Ocean EF 3.1 kg 2
73a382d6-617f-4903-91ce-dbc0e19b5c35 Environmental → Water → Surface water EF 3.1 kg 2
b9f5a3ce-270e-4ee1-bbe1-926337692c7b Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-6d0fec48662f05f0",
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    },
    {
      "@value": "3-chloro-alpha-ethoxyimino-2,6-dimethoxybenzyl benzoate",
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      "http://www.w3.org/2004/02/skos/core#definition": "A substance used to destroy pests of the subclass <em>Acari</em> (mites and ticks).",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_roles",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ChEBI"
        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    },
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_25944",
      "rdfs:label": "pesticide",
      "http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_roles",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ChEBI"
        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    }
  ]
}

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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

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