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Trinexapac-ethyl

2D structure
UUID 4d9a8790-3ddd-11dd-9699-0050c2490048
Deprecated yes
Replaced By 4d9a8790-3ddd-11dd-969a-0050c2490048
Flow Object IDfo-844841c5416f872a
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 95266-40-3
EC Numbers 680-302-2
prefLabel
Language Value Provenance
en Trinexapac-ethyl
altLabel ⓘ
Language Value Provenance
en ethyl (RS)-4-cyclopropyl(hydroxy)methylene-3,5-dioxocyclohexanecarboxylate
en ethyl 4-(cyclopropylhydroxymethylene)-3,5-dioxocyclohexanecarboxylate
en ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexanecarboxylate
en CGA 163935
en Cimectacarb
en Cyclohexanecarboxylic acid, 4-(cyclopropylhydroxymethylene)-3,5-dioxo-, ethyl ester
en Moddus
en Palisade EC
en Primo
en Primo Maxx
Definitions
Language Value Provenance
en An ethyl ester resulting from the formal condensation of the carboxy group of trinexapac with ethanol.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey RVKCCVTVZORVGD-QXMHVHEDSA-N, RVKCCVTVZORVGD-UHFFFAOYSA-N
InChI InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3, InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3/b12-11-
IUPAC name 4-[cyclopropyl(hydroxy)methylene]-3,5-diketo-cyclohexanecarboxylic acid ethyl ester, 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxo-1-cyclohexanecarboxylic acid ethyl ester, ethyl 4-[cyclopropyl(hydroxy)methylene]-3,5-dioxo-cyclohexanecarboxylate, ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate, ethyl 4-[cyclopropyl(oxidanyl)methylidene]-3,5-bis(oxidanylidene)cyclohexane-1-carboxylate
Molecular formula C13H16O5
Molecular mass 252.266
Monoisotopic mass 252.09977, 252.099774
SMILES CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1, CCOC(=O)C1CC(=O)C(=C(O)C2CC2)C(=O)C1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 4d9a8790-3ddd-11dd-9699-0050c2490048 trinexapac-ethyl

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=trinexapac-ethyl||dimension=Environmental > media=Ground > geography=Agricultural; cas=95266-40-3; added Common Chemistry CAS names as altLabel: CGA 163935, Cimectacarb, Cyclohexanecarboxylic acid, 4-(cyclopropylhydroxymethylene)-3,5-dioxo-, ethyl ester, Moddus, Palisade EC, Primo, Primo Maxx; object_uuid=fo-844841c5416f872a
cas_match_labels 1 — consensus_match group_key=trinexapac-ethyl||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'95266-40-3': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-844841c5416f872a: {'95266-40-3': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': 'ethyl (RS)-4-cyclopropyl(hydroxy)methylene-3,5-dioxocyclohexanecarboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethyl (RS)-4-cyclopropyl(hydroxy)methylene-3,5-dioxocyclohexanecarboxylate', 'http://purl.obolibrary.org/obo/CHEBI_81817', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ethyl 4-(cyclopropylhydroxymethylene)-3,5-dioxocyclohexanecarboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethyl 4-(cyclopropylhydroxymethylene)-3,5-dioxocyclohexanecarboxylate', 'http://purl.obolibrary.org/obo/CHEBI_81817', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexanecarboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexanecarboxylate', 'http://purl.obolibrary.org/obo/CHEBI_81817', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': 'ethyl (RS)-4-cyclopropyl(hydroxy)methylene-3,5-dioxocyclohexanecarboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethyl (RS)-4-cyclopropyl(hydroxy)methylene-3,5-dioxocyclohexanecarboxylate', 'http://purl.obolibrary.org/obo/CHEBI_81817', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ethyl 4-(cyclopropylhydroxymethylene)-3,5-dioxocyclohexanecarboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethyl 4-(cyclopropylhydroxymethylene)-3,5-dioxocyclohexanecarboxylate', 'http://purl.obolibrary.org/obo/CHEBI_81817', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexanecarboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexanecarboxylate', 'http://purl.obolibrary.org/obo/CHEBI_81817', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'CGA 163935', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:95266-40-3', 'https://commonchemistry.cas.org/detail?cas_rn=95266-40-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cimectacarb', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:95266-40-3', 'https://commonchemistry.cas.org/detail?cas_rn=95266-40-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclohexanecarboxylic acid, 4-(cyclopropylhydroxymethylene)-3,5-dioxo-, ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:95266-40-3', 'https://commonchemistry.cas.org/detail?cas_rn=95266-40-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Moddus', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:95266-40-3', 'https://commonchemistry.cas.org/detail?cas_rn=95266-40-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Palisade EC', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:95266-40-3', 'https://commonchemistry.cas.org/detail?cas_rn=95266-40-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Primo', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:95266-40-3', 'https://commonchemistry.cas.org/detail?cas_rn=95266-40-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Primo Maxx', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:95266-40-3', 'https://commonchemistry.cas.org/detail?cas_rn=95266-40-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=trinexapac-ethyl||dimension=Environmental > media=Ground > geography=Agricultural; cas=95266-40-3; added Common Chemistry CAS names as altLabel: CGA 163935, Cimectacarb, Cyclohexanecarboxylic acid, 4-(cyclopropylhydroxymethylene)-3,5-dioxo-, ethyl ester, Moddus, Palisade EC, Primo, Primo Maxx; object_uuid=fo-844841c5416f872a
cas_match_labels None {'95266-40-3': 'exactMatch'} group_key=trinexapac-ethyl||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'95266-40-3': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-844841c5416f872a: {'95266-40-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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