Consensus flow list

Identity

Type
NeutralMolecule
CAS
103361-09-7
EC
600-425-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Flumioxazin

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
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
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

21

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string FOUWCSDKDDHKQP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2
IUPAC name chemrof:IUPAC_name 2-[7-fluoro-3,4-dihydro-3-oxo-4-(2-propyn-1-yl)-2H-1,4-benzoxazin-6-yl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione
Molecular formula chemrof:molecular_formula C19H15FN2O4
Molecular mass chemrof:molecular_mass 354.337
Monoisotopic mass chemrof:monoisotopic_mass 354.101585, 354.10159
SMILES string chemrof:smiles_string C#CCN1C(=O)COc2cc(F)c(N3C(=O)C4=C(CCCC4)C3=O)cc21

Known URLs

25

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
agr agr:IND601311743 enrich_references.chebi_xrefs
agr agr:IND604666662 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=103361-09-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:8939 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.113.142 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7032555 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2133606 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/L0PX7OGI22 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0034854 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.633.636J enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J664.809F enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C11035 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C11035 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=46716 enrich_references.pubchem_identifier_url
pesticides pesticides:flumioxazin enrich_references.chebi_xrefs
ppdb ppdb:335 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/92425 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/24391081 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24753331 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25475126 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26594468 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27108479 enrich_references.chebi_xrefs
reaxys reaxys:8290535 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q1434160 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Flumioxazin enrich_references.pubchem_identifier_url

Elementary flows

15
Flow Context Source Unit CFs
29f7f695-b254-4b25-883e-58436cf218b6 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
df56c658-1d81-41dd-b6e7-11dcafd2a0eb Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
95f04dcd-4936-4988-9af1-c5a2eda13aeb Environmental → Air → Indoor EF 3.1 kg 4
2c87beb0-2b94-420e-874c-c9b9e61e4e68 Environmental → Air → Long-term EF 3.1 kg 0
9570be45-fe47-412d-abea-40b0d62c79bb Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
475cd1a9-40d9-4033-acd6-7019d447c08b Environmental → Air → Unknown EF 3.1 kg 4
8d17358d-676e-43c9-9ed6-83e189bb7cde Environmental → Ground → Agricultural EF 3.1 kg 4
77c3b9d7-5444-47b1-b384-b771c99214c9 Environmental → Ground → Non-agricultural EF 3.1 kg 4
111c099a9f18163979005ff07a1626fbaec386cd Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
2afb6a51-976e-4443-9b32-dbe32a1ae5d3 Environmental → Ground → Unknown EF 3.1 kg 4
7dee4337-b8cc-456b-b5e7-f201c14fbee7 Environmental → Water → Long-term EF 3.1 kg 0
e28a2a28-462b-40fb-9557-e50187d4701b Environmental → Water → Ocean EF 3.1 kg 4
d4c1f455-acaf-4978-ab42-1d3e5a52ccc1 Environmental → Water → Surface water EF 3.1 kg 4
6f42ca906cc1a398702a873eb7053f5db25f389f Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
31ebd0b5-ad80-4af6-b4d3-46e00539fdf0 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-f81c8625fa230e8b",
  "prefLabel": [
    {
      "@value": "Flumioxazin",
      "@language": "en",
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        "prov:wasDerivedFrom": "legacy name field"
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  ],
  "altLabel": [
    {
      "@value": "1H-Isoindole-1,3(2H)-dione, 2-[7-fluoro-3,4-dihydro-3-oxo-4-(2-propyn-1-yl)-2H-1,4-benzoxazin-6-yl]-4,5,6,7-tetrahydro-",
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        ],
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      }
    },
    {
      "@value": "1H-Isoindole-1,3(2H)-dione, 2-[7-fluoro-3,4-dihydro-3-oxo-4-(2-propynyl)-2H-1,4-benzoxazin-6-yl]-4,5,6,7-tetrahydro-",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-(7-Fluoro-3-oxo-4-(prop-2-ynyl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)-4,5,6,7-tetrahydro-2H-isoindole-1,3-dione",
      "@language": "en",
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      }
    },
    {
      "@value": "2-[7-fluoro-3,4-dihydro-3-oxo-4-(2-propyn-1-yl)-2H-1,4-benzoxazin-6-yl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione",
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    },
    {
      "@value": "2-[7-fluoro-3-oxo-4-(prop-2-yn-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2H-1,4-Benzoxazine, 1H-isoindole-1,3(2H)-dione deriv.",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    },
    {
      "@value": "7-fluoro-6-(3,4,5,6-tetrahydrophthalimido)-4-(2-propynyl)-1,4-benzoxazin-3(2H)-one",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "BroadStar",
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      "@lang": "en",
      "provenance": {
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    },
    {
      "@value": "Chateau",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Encompass,",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "flumioxazine",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Flumizin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Guillotine",
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    {
      "@value": "N-(7-fluoro-3,4-dihydro-3-oxo-4-prop-2-ynyl-2H-1,4-benzoxazin-6-yl)cyclohex-1-ene-1,2-dicarboxamide",
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      }
    },
    {
      "@value": "Pledge",
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          "https://commonchemistry.cas.org/detail?cas_rn=103361-09-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sumimax",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sumisoya",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "SureGuard",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Valor",
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    },
    {
      "@value": "Valor EZ",
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    },
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      "@value": "Valor SX",
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  "properties": {
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