Consensus flow list

Identity

Type
NeutralMolecule
CAS
76578-12-6
EC
616-350-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Quizalofop

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. 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

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ABOOPXYCKNFDNJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-15-8-11(18)2-7-14(15)20-16/h2-10H,1H3,(H,21,22)
IUPAC name chemrof:IUPAC_name (+-)-2-(4-(6-chloro-2-quinoxalinyloxy)phenoxy)propanoic acid
Molecular formula chemrof:molecular_formula C17H13ClN2O4
Molecular mass chemrof:molecular_mass 344.75, 344.754
Monoisotopic mass chemrof:monoisotopic_mass 344.05638, 344.056385
SMILES string chemrof:smiles_string CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)O

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
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=76578-12-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81943 enrich_references.chebi_id_link
KEGG https://www.genome.jp/entry/C18763 enrich_references.chebi_xrefs
pesticides pesticides:quizalofop enrich_references.chebi_xrefs
reaxys reaxys:7720680 enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
1634b8f3-0056-4328-986c-0eef144c3972 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
e85bcc52-d450-4848-a54e-440fed068bf3 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
6af82e52-b44e-4b5f-9f11-71838bdae7ae Environmental → Air → Indoor EF 3.1 kg 2
015cb8e6-995e-46f5-9973-bdbe6c1194f1 Environmental → Air → Long-term EF 3.1 kg 0
697a4d04-a914-48c6-954d-3620c974e407 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4d3044b7-e638-4a5e-be88-50d01a22a70f Environmental → Air → Unknown EF 3.1 kg 2
113cfb9f-a5b1-4084-ab45-c036cb1c0bfd Environmental → Ground → Agricultural EF 3.1 kg 2
57918b52-5331-44ee-a65f-d74b73781795 Environmental → Ground → Non-agricultural EF 3.1 kg 2
7ee3011a-8524-4f54-a77b-c302ffda8a7a Environmental → Ground → Unknown EF 3.1 kg 2
011fa3a3-4dec-4e09-af2f-350ebbb5891d Environmental → Water → Long-term EF 3.1 kg 0
c3ea6a89-7e13-400f-a53e-9ae0e1b36c79 Environmental → Water → Ocean EF 3.1 kg 2
2820c003-4740-4d16-820d-4f7db57b87de Environmental → Water → Surface water EF 3.1 kg 2
66233308-f333-456b-b0fd-3882cb11670f 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-f634d31e8c8d3a6d",
  "prefLabel": [
    {
      "@value": "Quizalofop",
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    },
    {
      "@value": "(+-)-2-(4-(6-chloroquinoxalin-2-yloxy)phenoxy)propionic acid",
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    },
    {
      "@value": "(RS)-2-(4-(6-chloroquinoxalin-2-yloxy)phenoxy)propionic acid",
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    },
    {
      "@value": "2-[4-[(6-Chloro-2-quinoxalinyl)oxy]phenoxy]propanoic acid",
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    },
    {
      "@value": "Propanoic Acid, 2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]-",
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    {
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    },
    {
      "@value": "Xylafop",
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      "@value": "A racemate comprising equimolar amounts of quizalofop-P  of and (S)-quizalofop. Quizalofop is used (commonly as the corresponding ethyl ester, known as quizalofop-ethyl) as a selective post-emergence herbicide against annual and winter-hard grasses. The active isomer is the R enantiomer, which is known as quizalofop-P.",
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          "ChEBI"
        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    }
  ]
}

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