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CHEBI:215698 - Xanthoquinodin B8

ChEBI IDCHEBI:215698
ChEBI NameXanthoquinodin B8
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H26O12
Net Charge0
Average Mass590.537
Monoisotopic Mass590.14243
SMILESCOC(=O)[C@]1([C@@H]2CCC(=O)O2)CC(=O)c2c(O)cc3c(c2O1)[C@@H]1C=C[C@@]2(C3)[C@@H](O)c3cc(C)cc(O)c3C(=O)[C@@]2(O)C1=O
InChIInChI=1S/C31H26O12/c1-12-7-15-22(16(32)8-12)27(38)31(40)26(37)14-5-6-29(31,25(15)36)10-13-9-17(33)23-18(34)11-30(28(39)41-2,43-24(23)21(13)14)19-3-4-20(35)42-19/h5-9,14,19,25,32-33,36,40H,3-4,10-11H2,1-2H3/t14-,19-,25-,29+,30+,31-/m0/s1
InChIKeyAWBOGBQLUNBTAB-AGCBZKJYSA-N
Species of MetaboliteComponentSourceComments
Cytospora (ncbitaxon:117544) - PubMed (29677644)
ChEBI Ontology
Outgoing Relation(s)
Xanthoquinodin B8 (CHEBI:215698) is a chromones (CHEBI:23238)
IUPAC Name 
methyl (1S,9R,13S,15S,23S)-5,15,18,23-tetrahydroxy-20-methyl-7,14,16-trioxo-9-[(2S)-5-oxooxolan-2-yl]-10-oxahexacyclo[11.10.2.01,15.03,12.06,11.017,22]pentacosa-3,5,11,17(22),18,20,24-heptaene-9-carboxylate