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CHEBI:205184 - Dehydromonacolin N

ChEBI IDCHEBI:205184
ChEBI NameDehydromonacolin N
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O4
Net Charge0
Average Mass344.451
Monoisotopic Mass344.19876
SMILESCC(=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/C21H28O4/c1-13-11-16-8-7-14(2)18(21(16)19(12-13)24-15(3)22)10-9-17-5-4-6-20(23)25-17/h4,6-8,11,13-14,17-19,21H,5,9-10,12H2,1-3H3/t13-,14-,17-,18-,19-,21-/m0/s1
InChIKeyWIPNMFLFZURMNZ-GIVJZPSRSA-N
Species of MetaboliteComponentSourceComments
Monascus purpureus (ncbitaxon:5098) - PubMed (22224625)
ChEBI Ontology
Outgoing Relation(s)
Dehydromonacolin N (CHEBI:205184) 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] acetate
Manual XrefsDatabases
78441040ChemSpider