Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 05:48:26 UTC
Update Date2022-08-31 06:38:24 UTC
Metabolite IDMMDBc0014873
Metabolite Identification
Common NameChaetoviridin E
Description(6aS)-5-chloro-9-[(2S,3R)-3-hydroxy-2-methylbutanoyl]-6a-methyl-3-[(1E,3R)-3-methylpent-1-en-1-yl]-6H,6aH,8H-furo[2,3-h]isochromene-6,8-dione belongs to the class of organic compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond. Based on a literature review very few articles have been published on (6aS)-5-chloro-9-[(2S,3R)-3-hydroxy-2-methylbutanoyl]-6a-methyl-3-[(1E,3R)-3-methylpent-1-en-1-yl]-6H,6aH,8H-furo[2,3-h]isochromene-6,8-dione.
Structure
SynonymsNot Available
Molecular FormulaC23H25ClO6
Average Mass432.9
Monoisotopic Mass432.1339662
IUPAC Name(6aS)-5-chloro-9-[(2S,3R)-3-hydroxy-2-methylbutanoyl]-6a-methyl-3-[(1E,3R)-3-methylpent-1-en-1-yl]-6H,6aH,8H-furo[2,3-h]isochromene-6,8-dione
Traditional Name(6aS)-5-chloro-9-[(2S,3R)-3-hydroxy-2-methylbutanoyl]-6a-methyl-3-[(1E,3R)-3-methylpent-1-en-1-yl]furo[2,3-h]isochromene-6,8-dione
CAS Registry NumberNot Available
SMILES
[H]\C(=C(\[H])[C@]([H])(C)CC)C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)C(C(=O)[C@@]([H])(C)[C@@]([H])(C)O)=C3C2=CO1
InChI Identifier
InChI=1S/C23H25ClO6/c1-6-11(2)7-8-14-9-15-16(10-29-14)18-17(20(26)12(3)13(4)25)22(28)30-23(18,5)21(27)19(15)24/h7-13,25H,6H2,1-5H3/b8-7+/t11-,12+,13-,23+/m1/s1
InChI KeyHWSQVPGTQUYLEQ-KHGBAPSLSA-N