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CHEBI:219066 - Monaphilol A

ChEBI IDCHEBI:219066
ChEBI NameMonaphilol A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H28O5
Net Charge0
Average Mass384.472
Monoisotopic Mass384.19367
SMILESC/C=C/C1=CC2=CC3=C(C(=O)CCCCCCC)C(=O)O[C@@]3(C)[C@@H](O)C2=CO1
InChIInChI=1S/C23H28O5/c1-4-6-7-8-9-11-19(24)20-18-13-15-12-16(10-5-2)27-14-17(15)21(25)23(18,3)28-22(20)26/h5,10,12-14,21,25H,4,6-9,11H2,1-3H3/b10-5+/t21-,23+/m0/s1
InChIKeyQJDKAFMLUWHXPD-BQWZEFPDSA-N
Species of MetaboliteComponentSourceComments
Monascus purpureus (ncbitaxon:5098) - PubMed (21506577)
ChEBI Ontology
Outgoing Relation(s)
Monaphilol A (CHEBI:219066) is a polyketide (CHEBI:26188)
IUPAC Name 
(9S,9aR)-9-hydroxy-9a-methyl-3-octanoyl-6-[(E)-prop-1-enyl]-9H-uro[3,2-g]isochromen-2-one
Manual XrefsDatabases
78441372ChemSpider