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CHEBI:222366 - Monacolin M

ChEBI IDCHEBI:222366
ChEBI NameMonacolin M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H34O6
Net Charge0
Average Mass406.519
Monoisotopic Mass406.23554
SMILESC[C@@H]1C=CC2=C[C@H](C)C[C@H](OC(=O)C[C@@H](C)O)[C@@H]2[C@H]1CC[C@@H]1C[C@@H](O)CC(=O)O1
InChIInChI=1S/C23H34O6/c1-13-8-16-5-4-14(2)19(7-6-18-11-17(25)12-22(27)28-18)23(16)20(9-13)29-21(26)10-15(3)24/h4-5,8,13-15,17-20,23-25H,6-7,9-12H2,1-3H3/t13-,14+,15+,17+,18+,19-,20-,23-/m0/s1
InChIKeyICHHXFCJBZGEMY-POOSZJRSSA-N
Species of MetaboliteComponentSourceComments
Monascus (ncbitaxon:5097) - PubMed (3818440)
ChEBI Ontology
Outgoing Relation(s)
Monacolin M (CHEBI:222366) is a δ-lactone (CHEBI:18946)
IUPAC Name 
[(1S,3R,7R,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (3R)-3-hydroxybutanoate
Manual XrefsDatabases
78443002ChemSpider