Consensus flow list

Trifloxystrobin

fo-2adf533936d0f243

Identity

Type
NeutralMolecule
CAS
141517-21-7
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
23 across every transformer

Structure

Structure diagram for Trifloxystrobin

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

19

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ONCZDRURRATYFI-TVJDWZFNSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C20H19F3N2O4/c1-13(14-8-6-9-16(11-14)20(21,22)23)24-29-12-15-7-4-5-10-17(15)18(25-28-3)19(26)27-2/h4-11H,12H2,1-3H3/b24-13+,25-18+
Isomeric SMILES string chemrof:isomeric_smiles_string CO/N=C(/C(=O)OC)c1ccccc1CO/N=C(\C)c1cccc(C(F)(F)F)c1
IUPAC name chemrof:IUPAC_name methyl (2E)-(methoxyimino)[2-({[(E)-{1-[3-(trifluoromethyl)phenyl]ethylidene}amino]oxy}methyl)phenyl]acetate
Molecular formula chemrof:molecular_formula C20H19F3N2O4
Molecular mass chemrof:molecular_mass 408.376
Monoisotopic mass chemrof:monoisotopic_mass 408.12969, 408.129692
SMILES string chemrof:smiles_string CON=C(C(=O)OC)c1ccccc1CON=C(C)c1cccc(C(F)(F)F)c1

Known URLs

28

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=141517-21-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81833 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.119.778 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4032580 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.067.674F enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.647.660I enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18562 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18562 enrich_references.pubchem_identifier_url
pesticides pesticides:trifloxystrobin enrich_references.chebi_xrefs
ppdb ppdb:664 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11664966 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/23452212 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23545189 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23554042 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23710563 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24328546 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24376129 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24444931 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24624954 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24737683 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24762415 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24813986 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24874355 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25086714 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25158269 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25240160 enrich_references.chebi_xrefs
reaxys reaxys:8511187 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q15090829 enrich_references.pubchem_identifier_url

Elementary flows

8
Flow Context Source Unit CFs
bc050b4d-f1e5-49e7-822b-abcf68765bd4 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
3434c39e9df525e6236959ec8fcfde4097633d95 Environmental → Air → Unknown ecoinvent algorithm addition kg 0
ab4422e3-e5c8-4775-8fad-e194b2f25445 Environmental → Ground → Agricultural EF 3.1 kg 0
0dde65b33f45eb5947ec7b5f7a7e888c82755ddb Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
1a7cf623436391655f58ca28efe8031c3727ce5e Environmental → Ground → Unknown ecoinvent algorithm addition kg 0
b4d6f69550a0957ceeeb9cc61247668732f84dfd Environmental → Water → Surface water ecoinvent algorithm addition kg 0
bb4a33b38fd0e6c3d6548ce43ec6cb1d52c2867b Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
60dbf7281b9c8668fc31c8cb0e402961ecba3cda Environmental → Water → Unknown ecoinvent algorithm addition kg 0

History

Everything that changed this substance (23 changes)

Open the changes page

Full record

Flow object JSON 
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