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CHEBI:204875 - Dehydromonacolin K

ChEBI IDCHEBI:204875
ChEBI NameDehydromonacolin K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H34O4
Net Charge0
Average Mass386.532
Monoisotopic Mass386.24571
SMILESCC[C@@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3CC=CC(=O)O3)[C@H]21
InChIInChI=1S/C24H34O4/c1-5-16(3)24(26)28-21-14-15(2)13-18-10-9-17(4)20(23(18)21)12-11-19-7-6-8-22(25)27-19/h6,8-10,13,15-17,19-21,23H,5,7,11-12,14H2,1-4H3/t15-,16+,17-,19-,20-,21-,23-/m0/s1
InChIKeySPIVMHAGTHFLMO-ZYMANQMLSA-N
Species of MetaboliteComponentSourceComments
Monascus purpureus (ncbitaxon:5098) - PubMed (11087463)
ChEBI Ontology
Outgoing Relation(s)
Dehydromonacolin K (CHEBI:204875) is a pyranone (CHEBI:37963)
IUPAC Name 
[(1S,3R,7S,8S,8aR)-3,7-dimethyl-8-[2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2R)-2-methylbutanoate
Manual XrefsDatabases
78437212ChemSpider