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CHEBI:215242 - Monascuskaodione

ChEBI IDCHEBI:215242
ChEBI NameMonascuskaodione
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H30O5
Net Charge0
Average Mass398.499
Monoisotopic Mass398.20932
SMILESC/C=C/C1=CC2=CC(=O)[C@]3(C)OC(=O)[C@H](C(=O)CCCCCCCC)[C@H]3C2=CO1
InChIInChI=1S/C24H30O5/c1-4-6-7-8-9-10-12-19(25)21-22-18-15-28-17(11-5-2)13-16(18)14-20(26)24(22,3)29-23(21)27/h5,11,13-15,21-22H,4,6-10,12H2,1-3H3/b11-5+/t21-,22-,24+/m1/s1
InChIKeyMGXIYWIJISLRMT-AVVHGWNQSA-N
Species of MetaboliteComponentSourceComments
Monascus kaoliang (ncbitaxon:180403) - DOI (10.1007/s10600-015-1499-x)
ChEBI Ontology
Outgoing Relation(s)
Monascuskaodione (CHEBI:215242) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(6aR,9S,9aS)-6a-methyl-9-nonanoyl-3-[(E)-prop-1-enyl]-9,9a-dihydrouro[2,3-h]isochromene-6,8-dione
Manual XrefsDatabases
78441528ChemSpider