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CHEBI:207966 - Xanthomonasin A

ChEBI IDCHEBI:207966
ChEBI NameXanthomonasin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O7
Net Charge0
Average Mass388.416
Monoisotopic Mass388.15220
SMILESC/C=C/[C@]1(O)Cc2c(oc(O)c2C=O)C2=C(C(=O)CCCCC)C(=O)O[C@@]21C
InChIInChI=1S/C21H24O7/c1-4-6-7-8-14(23)15-16-17-12(13(11-22)18(24)27-17)10-21(26,9-5-2)20(16,3)28-19(15)25/h5,9,11,24,26H,4,6-8,10H2,1-3H3/b9-5+/t20-,21-/m0/s1
InChIKeyIPYDADJCQCMLGC-SJAOVVEKSA-N
Species of MetaboliteComponentSourceComments
Monascus pilosus (ncbitaxon:89488) - PubMed (15686402)
ChEBI Ontology
Outgoing Relation(s)
Xanthomonasin A (CHEBI:207966) is a benzofurans (CHEBI:35259)
IUPAC Name 
(5R,5aS)-8-hexanoyl-2,5-dihydroxy-5a-methyl-7-oxo-5-[(E)-prop-1-enyl]-4H-uro[2,3-e][1]benzouran-3-carbaldehyde
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78438436ChemSpider