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CHEBI:211631 - Versixanthone B

ChEBI IDCHEBI:211631
ChEBI NameVersixanthone B
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SubmitterMetaboLights
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FormulaC32H30O14
Net Charge0
Average Mass638.578
Monoisotopic Mass638.16356
SMILESCOC(=O)[C@@]12Oc3c(-c4ccc(O)c5c4O[C@](C(=O)OC)([C@@H]4OC(=O)C[C@@H]4C)CC5=O)ccc(O)c3C(O)=C1C(=O)C[C@H](C)[C@H]2O
InChIInChI=1S/C32H30O14/c1-12-9-18(35)23-24(38)22-17(34)8-6-15(26(22)46-32(23,27(12)39)30(41)43-4)14-5-7-16(33)21-19(36)11-31(29(40)42-3,45-25(14)21)28-13(2)10-20(37)44-28/h5-8,12-13,27-28,33-34,38-39H,9-11H2,1-4H3/t12-,13-,27+,28+,31-,32+/m0/s1
InChIKeyAYJBBEQGIKLHHU-BRUKEMFCSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (26506221)
ChEBI Ontology
Outgoing Relation(s)
Versixanthone B (CHEBI:211631) is a xanthenes (CHEBI:38835)
IUPAC Name 
methyl (3S,4R,4aR)-4,8,9-trihydroxy-5-[(2S)-5-hydroxy-2-methoxycarbonyl-2-[(2R,3S)-3-methyl-5-oxooxolan-2-yl]-4-oxo-3H-chromen-8-yl]-3-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate
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