Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 00:21:10 UTC
Update Date2022-08-31 06:26:35 UTC
Metabolite IDMMDBc0007004
Metabolite Identification
Common Name10-Oxodehydrodihydrobotrydial
Description10-Oxodehydrodihydrobotrydial belongs to the class of organic compounds known as 2-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 2-position. Based on a literature review very few articles have been published on 10-Oxodehydrodihydrobotrydial.
Structure
SynonymsNot Available
Molecular FormulaC15H18O2
Average Mass230.307
Monoisotopic Mass230.13067982
IUPAC Name(4S)-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.0^{4,12}]dodeca-1(12),8,10-trien-7-one
Traditional Name(4S)-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.0^{4,12}]dodeca-1(12),8,10-trien-7-one
CAS Registry NumberNot Available
SMILES
CC1=C2C3=C(C=C1)C(C)(C)C[C@]3(C)COC2=O
InChI Identifier
InChI=1S/C15H18O2/c1-9-5-6-10-12-11(9)13(16)17-8-15(12,4)7-14(10,2)3/h5-6H,7-8H2,1-4H3/t15-/m1/s1
InChI KeyCAMCSBCRRUTMEK-OAHLLOKOSA-N