Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 19:31:58 UTC
Update Date2022-08-31 06:17:46 UTC
Metabolite IDMMDBc0001207
Metabolite Identification
Common Name(6Z)-9'-apo-rhodoxanthinone
Description(6Z)-9'-Aporhodoxanthinone belongs to the class of organic compounds known as sesterterpenoids. These are terpenes composed of five consecutive isoprene units. Based on a literature review very few articles have been published on (6Z)-9'-Aporhodoxanthinone.
Structure
SynonymsNot Available
Molecular FormulaC29H36O2
Average Mass416.605
Monoisotopic Mass416.271530399
IUPAC Name(4Z)-3,5,5-trimethyl-4-[(2E,4E,6E,8E,10E,12E,14E)-3,7,12-trimethyl-16-oxoheptadeca-2,4,6,8,10,12,14-heptaen-1-ylidene]cyclohex-2-en-1-one
Traditional Name(4Z)-3,5,5-trimethyl-4-[(2E,4E,6E,8E,10E,12E,14E)-3,7,12-trimethyl-16-oxoheptadeca-2,4,6,8,10,12,14-heptaen-1-ylidene]cyclohex-2-en-1-one
CAS Registry NumberNot Available
SMILES
[H]\C(\C(\[H])=C(/[H])\C(\C)=C(/[H])\C(\[H])=C(/[H])\C(\C)=C(/[H])\C(\[H])=C1/C(C)=CC(=O)CC1(C)C)=C(\[H])/C(/C)=C(\[H])/C(/[H])=C(\[H])C(C)=O
InChI Identifier
InChI=1S/C29H36O2/c1-22(12-8-9-13-23(2)16-11-17-26(5)30)14-10-15-24(3)18-19-28-25(4)20-27(31)21-29(28,6)7/h8-20H,21H2,1-7H3/b12-8+,13-9+,15-10+,17-11+,22-14+,23-16+,24-18+,28-19+
InChI KeyICIRHPDWFNPSHC-UQAGTHSRSA-N