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CHEBI:39113 - jasmolin I

ChEBI IDCHEBI:39113
ChEBI Namejasmolin I
Stars
Last Modified20 June 2019
SubmitterKirill Degtyarenko
DownloadsMolfile

FormulaC21H30O3
Net Charge0
Average Mass330.468
Monoisotopic Mass330.21949
SMILESCC/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/C21H30O3/c1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h8-9,11,16,18-19H,7,10,12H2,1-6H3/b9-8-/t16-,18+,19+/m1/s1
InChIKeyNZKIRHFOLVYKFT-VUMXUWRFSA-N

Roles Classification

ChEBI Ontology
IUPAC Name 
(1S)-2-methyl-4-oxo-3-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate
Synonym  Source
Jasmolin IChemIDplus
UniProt Name  Source
jasmolin IUniProt
Manual XrefsDatabases
C16780KEGG COMPOUND
Registry NumbersSources
Beilstein:2162077Beilstein
CAS:4466-14-2ChemIDplus
CAS:4466-14-2KEGG COMPOUND