Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 08:27:21 UTC
Update Date2022-08-31 06:43:38 UTC
Metabolite IDMMDBc0018220
Metabolite Identification
Common NameTrichodermatide D
DescriptionTrichodermatide D 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. Trichodermatide D is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
SynonymsNot Available
Molecular FormulaC16H24O4
Average Mass280.364
Monoisotopic Mass280.167459253
IUPAC Name(2R,7R)-2-heptanoyl-7-hydroxy-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-5-one
Traditional Name(2R,7R)-2-heptanoyl-7-hydroxy-2,3,4,6,7,8-hexahydro-1-benzopyran-5-one
CAS Registry NumberNot Available
SMILES
[H][C@]1(O)CC(=O)C2=C(C1)O[C@]([H])(CC2)C(=O)CCCCCC
InChI Identifier
InChI=1S/C16H24O4/c1-2-3-4-5-6-13(18)15-8-7-12-14(19)9-11(17)10-16(12)20-15/h11,15,17H,2-10H2,1H3/t11-,15+/m0/s1
InChI KeyKERJAKAVUGWYGC-XHDPSFHLSA-N