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CHEBI:199908 - Monascopyridine B

ChEBI IDCHEBI:199908
ChEBI NameMonascopyridine B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H29NO4
Net Charge0
Average Mass383.488
Monoisotopic Mass383.20966
SMILESC/C=C/c1cc2c(cn1)C(=O)[C@@]1(C)OC(=O)[C@@H](C(=O)CCCCCCC)[C@@H]1C2
InChIInChI=1S/C23H29NO4/c1-4-6-7-8-9-11-19(25)20-18-13-15-12-16(10-5-2)24-14-17(15)21(26)23(18,3)28-22(20)27/h5,10,12,14,18,20H,4,6-9,11,13H2,1-3H3/b10-5+/t18-,20+,23-/m0/s1
InChIKeyOYPJBWUSPIIITL-WFVSVMIMSA-N
Species of MetaboliteComponentSourceComments
Monascus purpureus (ncbitaxon:5098) - PubMed (12926903)
ChEBI Ontology
Outgoing Relation(s)
Monascopyridine B (CHEBI:199908) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(3R,3aS,9aS)-9a-methyl-3-octanoyl-6-[(E)-prop-1-enyl]-3a,4-dihydro-3H-uro[3,2-g]isoquinoline-2,9-dione
Manual XrefsDatabases
78440797ChemSpider