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CHEBI:215704 - Xanthoquinodin A10

ChEBI IDCHEBI:215704
ChEBI NameXanthoquinodin A10
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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(cc3c(c2O)[C@@H]2C=C[C@@]4(C3)[C@@H](O)c3cc(C)cc(O)c3C(=O)[C@@]4(O)C2=O)O1
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)10-13-9-18-23(24(35)21(13)14)17(33)11-30(43-18,28(39)41-2)19-3-4-20(34)42-19/h5-9,14,19,25,32,35-36,40H,3-4,10-11H2,1-2H3/t14-,19-,25-,29+,30+,31-/m0/s1
InChIKeyYGYBUOGEBPBGTN-AGCBZKJYSA-N
Species of MetaboliteComponentSourceComments
Cytospora (ncbitaxon:117544) - PubMed (29677644)
ChEBI Ontology
Outgoing Relation(s)
Xanthoquinodin A10 (CHEBI:215704) is a chromones (CHEBI:23238)
IUPAC Name 
methyl (1S,7R,13S,15S,23S)-11,15,18,23-tetrahydroxy-20-methyl-9,14,16-trioxo-7-[(2S)-5-oxooxolan-2-yl]-6-oxahexacyclo[11.10.2.01,15.03,12.05,10.017,22]pentacosa-3,5(10),11,17(22),18,20,24-heptaene-7-carboxylate