Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 08:46:52 UTC
Update Date2022-08-31 06:44:11 UTC
Metabolite IDMMDBc0018603
Metabolite Identification
Common NameTrichodermatide C
DescriptionTrichodermatide C belongs to the class of organic compounds known as benzopyrans. These are organic compounds containing a benzene ring fused to a pyran ring. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds. Based on a literature review a small amount of articles have been published on Trichodermatide C.
Structure
SynonymsNot Available
Molecular FormulaC16H24O3
Average Mass264.365
Monoisotopic Mass264.172544633
IUPAC Name(2S,6S)-2-[(1E)-hept-1-en-1-yl]-6-hydroxy-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-5-one
Traditional Name(2S,6S)-2-[(1E)-hept-1-en-1-yl]-6-hydroxy-2,3,4,6,7,8-hexahydro-1-benzopyran-5-one
CAS Registry NumberNot Available
SMILES
[H]\C(CCCCC)=C(\[H])[C@]1([H])CCC2=C(CC[C@]([H])(O)C2=O)O1
InChI Identifier
InChI=1S/C16H24O3/c1-2-3-4-5-6-7-12-8-9-13-15(19-12)11-10-14(17)16(13)18/h6-7,12,14,17H,2-5,8-11H2,1H3/b7-6+/t12-,14+/m1/s1
InChI KeyMFOTXJRHYJMHKH-WDYNUWJLSA-N