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CHEBI:207939 - Versixanthone J

ChEBI IDCHEBI:207939
ChEBI NameVersixanthone J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H30O15
Net Charge0
Average Mass654.577
Monoisotopic Mass654.15847
SMILESCOC(=O)[C@@]12Oc3ccc(-c4ccc(O)c5c4O[C@]4(C(=O)OC)C(=C5O)C(=O)C[C@H](C)[C@H]4O)c(O)c3C(O)=C1C(=O)C[C@H](CO)[C@H]2O
InChIInChI=1S/C32H30O15/c1-11-8-16(35)21-24(38)19-15(34)6-4-14(26(19)47-31(21,27(11)40)29(42)44-2)13-5-7-18-20(23(13)37)25(39)22-17(36)9-12(10-33)28(41)32(22,46-18)30(43)45-3/h4-7,11-12,27-28,33-34,37-41H,8-10H2,1-3H3/t11-,12+,27+,28+,31+,32+/m0/s1
InChIKeyAEEQUDDSIBFQCX-JRDPMJDLSA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - PubMed (29466776)
ChEBI Ontology
Outgoing Relation(s)
Versixanthone J (CHEBI:207939) is a xanthenes (CHEBI:38835)
IUPAC Name 
methyl (3S,4R,4aR)-5-[(5R,6R,10aR)-1,5,9-trihydroxy-6-(hydroxymethyl)-10a-methoxycarbonyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-4,8,9-trihydroxy-3-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate