Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 03:44:13 UTC
Update Date2022-08-31 06:34:00 UTC
Metabolite IDMMDBc0012099
Metabolite Identification
Common NameAculene C
DescriptionAculene C belongs to the class of organic compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl). Aculene C is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a small amount of articles have been published on Aculene C.
Structure
SynonymsNot Available
Molecular FormulaC14H18O2
Average Mass218.296
Monoisotopic Mass218.13067982
IUPAC Name(8S,8aR)-3-ethyl-8-hydroxy-6,8a-dimethyl-1,7,8,8a-tetrahydroazulen-1-one
Traditional Name(8S,8aR)-3-ethyl-8-hydroxy-6,8a-dimethyl-7,8-dihydroazulen-1-one
CAS Registry NumberNot Available
SMILES
[H][C@]1(O)CC(C)=CC=C2C(CC)=CC(=O)[C@@]12C
InChI Identifier
InChI=1S/C14H18O2/c1-4-10-8-13(16)14(3)11(10)6-5-9(2)7-12(14)15/h5-6,8,12,15H,4,7H2,1-3H3/t12-,14+/m0/s1
InChI KeyUCCFSWQSMDQYHO-GXTWGEPZSA-N