Consensus flow list

Fluoxastrobin

fo-4a77f29b929f152f

Identity

Type
NeutralMolecule
CAS
361377-29-9
EC
609-207-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Fluoxastrobin

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

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
fungicide CHEBI:24127 A substance used to destroy fungal 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

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string UFEODZBUAFNAEU-NLRVBDNBSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C21H16ClFN4O5/c1-28-26-18(21-27-30-11-10-29-21)13-6-2-4-8-15(13)31-19-17(23)20(25-12-24-19)32-16-9-5-3-7-14(16)22/h2-9,12H,10-11H2,1H3/b26-18+
Isomeric SMILES string chemrof:isomeric_smiles_string CO/N=C(/C1=NOCCO1)c1ccccc1Oc1ncnc(Oc2ccccc2Cl)c1F
IUPAC name chemrof:IUPAC_name (1E)-(2-((6-(2-chlorophenoxy)-5-fluoro-4-pyrimidinyl)oxy)phenyl)(5,6-dihydro-1,4,2-dioxazin-3-yl)methanone O-methyloxime
Molecular formula chemrof:molecular_formula C21H16ClFN4O5
Molecular mass chemrof:molecular_mass 458.833
Monoisotopic mass chemrof:monoisotopic_mass 458.079326, 458.07933
SMILES string chemrof:smiles_string CON=C(C1=NOCCO1)c1ccccc1Oc1ncnc(Oc2ccccc2Cl)c1F

Known URLs

18

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:IND500677369 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=361377-29-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83253 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.118.726 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.127.748 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2034625 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1902591 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/XQ43WY091Y enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.975.310E enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.642.605E enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=143669 enrich_references.pubchem_identifier_url
patent patent:EP2319308 enrich_references.chebi_xrefs
patent patent:NZ554381 enrich_references.chebi_xrefs
pesticides pesticides:fluoxastrobin enrich_references.chebi_xrefs
ppdb ppdb:340 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11048796 enrich_references.pubchem_compound
reaxys reaxys:11322454 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q15632878 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
85dee51e-ae38-44a8-91c6-f37f8b5bd058 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
6f331797-2a1f-42ad-a0a6-a8961eb623cf Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
54a4e76a-167f-4439-a5d1-82674aa859fb Environmental → Air → Indoor EF 3.1 kg 4
1dd85bb7-7f4a-4503-a8f1-0f277fef912c Environmental → Air → Long-term EF 3.1 kg 0
f2405c81-88e6-4055-96bb-718bcad9a688 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
19c34167-e874-4b27-985a-d66693251d8a Environmental → Air → Unknown EF 3.1 kg 4
0f98fbf2-5a16-4008-824c-e77d0a9e674c Environmental → Ground → Agricultural EF 3.1 kg 4
cda4a7e3-0948-4cbe-a67c-5e0a7a32c456 Environmental → Ground → Non-agricultural EF 3.1 kg 4
7928d421a2ae69e2fc1d51a1e46c7e732369d692 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
d48bf16c-fe52-4919-b383-48c1cbf98ebb Environmental → Ground → Unknown EF 3.1 kg 4
0f493570-64ed-4518-bb28-cd3fbbd4cfd3 Environmental → Water → Long-term EF 3.1 kg 0
fe769124-5a9e-433d-8f21-df0579c95165 Environmental → Water → Ocean EF 3.1 kg 4
d06df8d4-2257-4659-839f-46c554d0cc42 Environmental → Water → Surface water EF 3.1 kg 4
c3ca9a62-1f79-4ef8-a3a4-bd2810860bdc Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON 
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