Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 00:16:29 UTC
Update Date2022-08-31 06:26:27 UTC
Metabolite IDMMDBc0006917
Metabolite Identification
Common NameAspergillumarin B
DescriptionAspergillumarin B 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 Aspergillumarin B.
Structure
SynonymsNot Available
Molecular FormulaC14H18O4
Average Mass250.294
Monoisotopic Mass250.12050906
IUPAC Name(3R)-8-hydroxy-3-[(4S)-4-hydroxypentyl]-3,4-dihydro-1H-2-benzopyran-1-one
Traditional Name(3R)-8-hydroxy-3-[(4S)-4-hydroxypentyl]-3,4-dihydro-2-benzopyran-1-one
CAS Registry NumberNot Available
SMILES
[H][C@@](C)(O)CCC[C@]1([H])CC2=C(C(O)=CC=C2)C(=O)O1
InChI Identifier
InChI=1S/C14H18O4/c1-9(15)4-2-6-11-8-10-5-3-7-12(16)13(10)14(17)18-11/h3,5,7,9,11,15-16H,2,4,6,8H2,1H3/t9-,11+/m0/s1
InChI KeyJDIGWVAMJGGRBY-GXSJLCMTSA-N