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CHEBI:228020 - Monascuspirolide A

ChEBI IDCHEBI:228020
ChEBI NameMonascuspirolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26O8
Net Charge0
Average Mass418.442
Monoisotopic Mass418.16277
SMILESCCOC(=O)C1(O)c2cc3c(cc2C(=O)C1(C)O)C1(CC(=O)C[C@@H](C)O1)O[C@H](C)C3
InChIInChI=1S/C22H26O8/c1-5-28-19(25)22(27)17-8-13-6-11(2)29-21(10-14(23)7-12(3)30-21)16(13)9-15(17)18(24)20(22,4)26/h8-9,11-12,26-27H,5-7,10H2,1-4H3/t11-,12-,20?,21?,22?/m1/s1
InChIKeySODOTIYIZWHXQO-YUTGSPIISA-N
Species of MetaboliteComponentSourceComments
Monascus (ncbitaxon:5097) - DOI (10.1016/j.phytol.2018.12.017)
ChEBI Ontology
Outgoing Relation(s)
Monascuspirolide A (CHEBI:228020) is a indanones (CHEBI:24789)
IUPAC Name 
ethyl (3R,6'R)-6,7-dihydroxy-3,6',7-trimethyl-4',8-dioxospiro[3,4-dihydrocyclopenta[g]isochromene-1,2'-oxane]-6-carboxylate