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CHEBI:3706 - cinerin I

ChEBI IDCHEBI:3706
ChEBI Namecinerin I
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Last Modified20 June 2019
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FormulaC20H28O3
Net Charge0
Average Mass316.441
Monoisotopic Mass316.20384
SMILESC/C=C\CC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1=O
InChIInChI=1S/C20H28O3/c1-7-8-9-14-13(4)17(11-16(14)21)23-19(22)18-15(10-12(2)3)20(18,5)6/h7-8,10,15,17-18H,9,11H2,1-6H3/b8-7-/t15-,17+,18+/m1/s1
InChIKeyFMTFEIJHMMQUJI-DFKXKMKHSA-N

Roles Classification

ChEBI Ontology
IUPAC Name 
(1S)-3-[(2Z)-but-2-en-1-yl]-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate
Synonyms  Source
Cinerin IKEGG COMPOUND
3-(2-butenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopentanecarboxylateChemIDplus
2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid 3-(2-butenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl esterChemIDplus
UniProt Name  Source
cinerin IUniProt
Manual XrefsDatabases
C09845KEGG COMPOUND
C00003033KNApSAcK
Registry NumbersSources
Beilstein:2158745Beilstein
CAS:97-12-1KEGG COMPOUND
CAS:97-12-1ChemIDplus