Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 18:38:10 UTC
Update Date2022-08-31 06:17:15 UTC
Metabolite IDMMDBc0000897
Metabolite Identification
Common NameBCA 1
DescriptionBCA 1 belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Based on a literature review a significant number of articles have been published on BCA 1.
Structure
SynonymsNot Available
Molecular FormulaC21H34O5
Average Mass366.498
Monoisotopic Mass366.240624195
IUPAC Name3,4-dihydroxy-2-{[5-hydroxy-2-(7-hydroxy-6-methylheptan-2-yl)-5-methylcyclopent-2-en-1-yl]methyl}cyclohex-2-en-1-one
Traditional Name3,4-dihydroxy-2-{[5-hydroxy-2-(7-hydroxy-6-methylheptan-2-yl)-5-methylcyclopent-2-en-1-yl]methyl}cyclohex-2-en-1-one
CAS Registry NumberNot Available
SMILES
CC(CO)CCCC(C)C1=CCC(C)(O)C1CC1=C(O)C(O)CCC1=O
InChI Identifier
InChI=1S/C21H34O5/c1-13(12-22)5-4-6-14(2)15-9-10-21(3,26)17(15)11-16-18(23)7-8-19(24)20(16)25/h9,13-14,17,19,22,24-26H,4-8,10-12H2,1-3H3
InChI KeyPCLCDPVEEFVAAQ-UHFFFAOYSA-N