Mesotrione

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UUID 3dc8a060-4300-40da-b077-0197680e7a55

Deprecated yes

Replaced By aa74fbea-4268-423c-ab40-41b2d38aa56c

Flow Object ID fo-0b3a00e30cf0514b

Source EF 3.1

Context Environmental → Ground → Agricultural

CAS Numbers 104206-82-8

EC Numbers 600-533-4

prefLabel

Language	Value	Provenance
`en`	`Mesotrione`

altLabel ⓘ

Language	Value	Provenance
`en`	`(2-nitro-4-(methylsullfonyl))benzoylcyclohexane-1,3-dione`
`en`	`2-(2'-nitro-4'-methylsulfonylbenzoyl)cyclohexane-1,3-dione`
`en`	`2-(4-methylsulphonyl-2-nitrobenzoyl)-1,3-cyclohexanedione`
`en`	`2-[4-(methanesulfonyl)-2-nitrobenzoyl]cyclohexane-1,3-dione`
`en`	`2-[4-(methylsulfonyl)-2-nitrobenzoyl]-1,3-cyclohexanedione`
`en`	`Tenacity`
`en`	`1,3-Cyclohexanedione, 2-[4-(methylsulfonyl)-2-nitrobenzoyl]-`
`en`	`Calisto`
`en`	`Callisto`
`en`	`Tenacity (herbicide)`
`en`	`Xiaohuangcaotong`
`en`	`ZA 1296`

Definitions

Language	Value	Provenance
`en`	An aromatic ketone that is cyclohexa-1,3-dione in which one of the hydrogens at position 2 is substituted by a 4-(methanesulfonyl)-2-nitrobenzoyl group.

References

Shared Properties

Predicate	Value
Formal charge	`0`
InChIKey	`KPUREKXXPHOJQT-UHFFFAOYSA-N`
InChI	`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	`2-(4-mesyl-2-nitro-benzoyl)cyclohexane-1,3-quinone, 2-(4-methylsulfonyl-2-nitro-benzoyl)cyclohexane-1,3-dione, 2-(4-methylsulfonyl-2-nitro-phenyl)carbonylcyclohexane-1,3-dione, 2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione, 2-[(4-methylsulfonyl-2-nitrophenyl)-oxomethyl]cyclohexane-1,3-dione`
Molecular formula	`C14H13NO7S`
Molecular mass	`339.325`
Monoisotopic mass	`339.04127`
SMILES	`CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-], CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c([N+](=O)[O-])c1`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`3dc8a060-4300-40da-b077-0197680e7a55`	Mesotrione

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field	Change Count	Latest Time	Transformers	Latest Comment
`altLabel`	1	`—`	consensus_match	group_key=mesotrione(iso);2-[4-(methylsulfonyl)-2-nitrobenzoyl]-1,3-cyclohexanedione\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=104206-82-8; added Common Chemistry CAS names as altLabel: 1,3-Cyclohexanedione, 2-[4-(methylsulfonyl)-2-nitrobenzoyl]-, Calisto, Callisto, Tenacity (herbicide), Xiaohuangcaotong, ZA 1296; object_uuid=fo-0b3a00e30cf0514b
`cas_match_labels`	1	`—`	consensus_match	group_key=mesotrione(iso);2-[4-(methylsulfonyl)-2-nitrobenzoyl]-1,3-cyclohexanedione\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'pubchem']; cas_sources={'104206-82-8': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0b3a00e30cf0514b: {'104206-82-8': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Ground
geography	Agricultural

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	[{'@value': '(2-nitro-4-(methylsullfonyl))benzoylcyclohexane-1,3-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(2-nitro-4-(methylsullfonyl))benzoylcyclohexane-1,3-dione', 'http://purl.obolibrary.org/obo/CHEBI_38321', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': "2-(2'-nitro-4'-methylsulfonylbenzoyl)cyclohexane-1,3-dione", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:2-(2'-nitro-4'-methylsulfonylbenzoyl)cyclohexane-1,3-dione", 'http://purl.obolibrary.org/obo/CHEBI_38321', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-(4-methylsulphonyl-2-nitrobenzoyl)-1,3-cyclohexanedione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-(4-methylsulphonyl-2-nitrobenzoyl)-1,3-cyclohexanedione', 'http://purl.obolibrary.org/obo/CHEBI_38321', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-[4-(methanesulfonyl)-2-nitrobenzoyl]cyclohexane-1,3-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-[4-(methanesulfonyl)-2-nitrobenzoyl]cyclohexane-1,3-dione', 'http://purl.obolibrary.org/obo/CHEBI_38321', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-[4-(methylsulfonyl)-2-nitrobenzoyl]-1,3-cyclohexanedione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-[4-(methylsulfonyl)-2-nitrobenzoyl]-1,3-cyclohexanedione', 'http://purl.obolibrary.org/obo/CHEBI_38321', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Tenacity', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Tenacity', 'http://purl.obolibrary.org/obo/CHEBI_38321', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}]	[{'@value': '(2-nitro-4-(methylsullfonyl))benzoylcyclohexane-1,3-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(2-nitro-4-(methylsullfonyl))benzoylcyclohexane-1,3-dione', 'http://purl.obolibrary.org/obo/CHEBI_38321', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': "2-(2'-nitro-4'-methylsulfonylbenzoyl)cyclohexane-1,3-dione", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:2-(2'-nitro-4'-methylsulfonylbenzoyl)cyclohexane-1,3-dione", 'http://purl.obolibrary.org/obo/CHEBI_38321', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-(4-methylsulphonyl-2-nitrobenzoyl)-1,3-cyclohexanedione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-(4-methylsulphonyl-2-nitrobenzoyl)-1,3-cyclohexanedione', 'http://purl.obolibrary.org/obo/CHEBI_38321', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-[4-(methanesulfonyl)-2-nitrobenzoyl]cyclohexane-1,3-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-[4-(methanesulfonyl)-2-nitrobenzoyl]cyclohexane-1,3-dione', 'http://purl.obolibrary.org/obo/CHEBI_38321', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-[4-(methylsulfonyl)-2-nitrobenzoyl]-1,3-cyclohexanedione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-[4-(methylsulfonyl)-2-nitrobenzoyl]-1,3-cyclohexanedione', 'http://purl.obolibrary.org/obo/CHEBI_38321', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Tenacity', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Tenacity', 'http://purl.obolibrary.org/obo/CHEBI_38321', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,3-Cyclohexanedione, 2-[4-(methylsulfonyl)-2-nitrobenzoyl]-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:104206-82-8', 'https://commonchemistry.cas.org/detail?cas_rn=104206-82-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Calisto', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:104206-82-8', 'https://commonchemistry.cas.org/detail?cas_rn=104206-82-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Callisto', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:104206-82-8', 'https://commonchemistry.cas.org/detail?cas_rn=104206-82-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tenacity (herbicide)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:104206-82-8', 'https://commonchemistry.cas.org/detail?cas_rn=104206-82-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Xiaohuangcaotong', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:104206-82-8', 'https://commonchemistry.cas.org/detail?cas_rn=104206-82-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'ZA 1296', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:104206-82-8', 'https://commonchemistry.cas.org/detail?cas_rn=104206-82-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=mesotrione(iso);2-[4-(methylsulfonyl)-2-nitrobenzoyl]-1,3-cyclohexanedione\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=104206-82-8; added Common Chemistry CAS names as altLabel: 1,3-Cyclohexanedione, 2-[4-(methylsulfonyl)-2-nitrobenzoyl]-, Calisto, Callisto, Tenacity (herbicide), Xiaohuangcaotong, ZA 1296; object_uuid=fo-0b3a00e30cf0514b
`cas_match_labels`	`None`	`{'104206-82-8': 'exactMatch'}`	group_key=mesotrione(iso);2-[4-(methylsulfonyl)-2-nitrobenzoyl]-1,3-cyclohexanedione\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'pubchem']; cas_sources={'104206-82-8': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0b3a00e30cf0514b: {'104206-82-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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