Mesotrione

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
environmental contaminant CHEBI:78298	Any minor or unwanted substance introduced into the environment that can have undesired effects.	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

(2-nitro-4-(methylsullfonyl))benzoylcyclohexane-1,3-dione
1,3-Cyclohexanedione, 2-[4-(methylsulfonyl)-2-nitrobenzoyl]-
2-(2'-nitro-4'-methylsulfonylbenzoyl)cyclohexane-1,3-dione
2-(4-methylsulphonyl-2-nitrobenzoyl)-1,3-cyclohexanedione
2-[4-(methanesulfonyl)-2-nitrobenzoyl]cyclohexane-1,3-dione
2-[4-(methylsulfonyl)-2-nitrobenzoyl]-1,3-cyclohexanedione
Calisto
Callisto
Mesotrione (iso); 2-[4-(methylsulfonyl)-2-nitrobenzoyl]-1,3-cyclohexanedione
Tenacity
Tenacity (herbicide)
Xiaohuangcaotong

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	KPUREKXXPHOJQT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3
IUPAC name chemrof:IUPAC_name	2-(2'-nitro-4'-methylsulfonylbenzoyl)cyclohexane-1,3-dione
Molecular formula chemrof:molecular_formula	C14H13NO7S
Molecular mass chemrof:molecular_mass	339.325
Monoisotopic mass chemrof:monoisotopic_mass	339.04127, 339.041273
SMILES string chemrof:smiles_string	CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c([N+](=O)[O-])c1

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=104206-82-8	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38321	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.111.661	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID7032424	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=833036	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1873440	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/48TR68G21T	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0254481	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.031.035K	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55832	enrich_references.pubchem_identifier_url
patent	patent:WO2011016018	enrich_references.chebi_xrefs
pesticides	pesticides:mesotrione	enrich_references.chebi_xrefs
ppdb	ppdb:442	enrich_references.chebi_xrefs
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/175967	enrich_references.pubchem_compound
PubMed	https://pubmed.ncbi.nlm.nih.gov/11455642	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/20692682	enrich_references.chebi_xrefs
reaxys	reaxys:8999656	enrich_references.chebi_xrefs
Wikidata	https://www.wikidata.org/wiki/Q409390	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/Mesotrione	enrich_references.chebi_xrefs

Flow	Context	Source	Unit	CFs
47bfa1e6-2fba-48ce-bbeb-ce2381b52c17	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
27708dad-d251-41fc-ab29-11b2076c66c4	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
abd1e967-f4dc-43c9-b876-18f52e9f89b4	Environmental → Air → Indoor	EF 3.1	kg	2
e96ecfc5-c65e-42dc-99df-b7afb9370830	Environmental → Air → Long-term	EF 3.1	kg	0
3c63ddbc-613a-4579-b2c6-4d4626741eda	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
727c044f-1186-4f50-8c8e-89907981102d	Environmental → Air → Unknown	EF 3.1	kg	2
aa74fbea-4268-423c-ab40-41b2d38aa56c	Environmental → Ground → Agricultural	EF 3.1	kg	2
e261f83e-a2c7-4298-b46e-d6ac8c9cf3dc	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
c578c9e9a88e45342eedd90318d58166df49e08e	Environmental → Ground → Silvicultural	ecoinvent algorithm addition	kg	0
65a42736-10dd-44b5-bea4-69d6fdb4af41	Environmental → Ground → Unknown	EF 3.1	kg	2
f418bfb9-f406-451b-87c3-3cf572aa75ec	Environmental → Water → Long-term	EF 3.1	kg	0
616ff23e-a706-4040-8944-925ac3cdf915	Environmental → Water → Ocean	EF 3.1	kg	2
15bad1a3d6ec503cddaed3cae39a12f8da69dfb6	Environmental → Water → River	agribalyse algorithm addition	kg	0
7dbeeff8-c8d3-4747-a67e-bf8e79fc3727	Environmental → Water → Surface water	EF 3.1	kg	2
1dd86827-f7ca-4919-b81b-e26c1fe2279d	Environmental → Water → Unknown	EF 3.1	kg	2
3dc8a060-4300-40da-b077-0197680e7a55 deprecated	Environmental → Ground → Agricultural	EF 3.1	kg	0

Everything that changed this substance (67 changes)

Open the changes page

Flow object JSON

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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

Mesotrione

Identity

Structure

What it is used for

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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