Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 02:29:00 UTC
Update Date2022-08-31 06:31:30 UTC
Metabolite IDMMDBc0010249
Metabolite Identification
Common Name11-epichaetomugilin A
Description11-Epichaetomugilin A belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety. Based on a literature review very few articles have been published on 11-Epichaetomugilin A.
Structure
SynonymsNot Available
Molecular FormulaC23H27ClO7
Average Mass450.91
Monoisotopic Mass450.1445309
IUPAC Name(1S,10S,12R,13R,14R,17R)-8-chloro-12-hydroxy-5-[(1E,3S,4R)-4-hydroxy-3-methylpent-1-en-1-yl]-10,13,14-trimethyl-4,11,15-trioxatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2,5,7-triene-9,16-dione
Traditional Name(1S,10S,12R,13R,14R,17R)-8-chloro-12-hydroxy-5-[(1E,3S,4R)-4-hydroxy-3-methylpent-1-en-1-yl]-10,13,14-trimethyl-4,11,15-trioxatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2,5,7-triene-9,16-dione
CAS Registry NumberNot Available
SMILES
[H]\C(=C(\[H])[C@]([H])(C)[C@@]([H])(C)O)C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@@]4(O)[C@]([H])(C(=O)O[C@]([H])(C)[C@@]4([H])C)[C@@]3([H])C2=CO1
InChI Identifier
InChI=1S/C23H27ClO7/c1-10(12(3)25)6-7-14-8-15-16(9-29-14)17-18-21(27)30-13(4)11(2)23(18,28)31-22(17,5)20(26)19(15)24/h6-13,17-18,25,28H,1-5H3/b7-6+/t10-,11+,12+,13+,17+,18-,22-,23+/m0/s1
InChI KeyLNHWUFUMZSBRBY-VJLWFCMXSA-N