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CHEBI:223673 - Xanthomonasin B

ChEBI IDCHEBI:223673
ChEBI NameXanthomonasin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H28O7
Net Charge0
Average Mass416.470
Monoisotopic Mass416.18350
SMILESC/C=C/[C@]1(O)Cc2c(oc(O)c2C=O)C2=C(C(=O)CCCCCCC)C(=O)O[C@@]21C
InChIInChI=1S/C23H28O7/c1-4-6-7-8-9-10-16(25)17-18-19-14(15(13-24)20(26)29-19)12-23(28,11-5-2)22(18,3)30-21(17)27/h5,11,13,26,28H,4,6-10,12H2,1-3H3/b11-5+/t22-,23-/m0/s1
InChIKeyNHVGGOQRKIKXEW-FCYCGOIYSA-N
Species of MetaboliteComponentSourceComments
Monascus pilosus (ncbitaxon:89488) - PubMed (15686402)
ChEBI Ontology
Outgoing Relation(s)
Xanthomonasin B (CHEBI:223673) is a polyketide (CHEBI:26188)
IUPAC Name 
(5R,5aS)-2,5-dihydroxy-5a-methyl-8-octanoyl-7-oxo-5-[(E)-prop-1-enyl]-4H-uro[2,3-e][1]benzouran-3-carbaldehyde
Manual XrefsDatabases
78438267ChemSpider