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CHEBI:204577 - Xanthonol

ChEBI IDCHEBI:204577
ChEBI NameXanthonol
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FormulaC38H34O14
Net Charge0
Average Mass714.676
Monoisotopic Mass714.19486
SMILESCOC(=O)C12Oc3cc(C)c(-c4c(C)cc5c(c4O)C(O)=C4C(=O)CC[C@@H](O)C4(CO)O5)c(O)c3C(O)=C1C(=O)CC[C@H]2OC(=O)c1ccccc1
InChIInChI=1S/C38H34O14/c1-16-13-21-27(33(45)29-19(40)9-11-23(42)37(29,15-39)51-21)31(43)25(16)26-17(2)14-22-28(32(26)44)34(46)30-20(41)10-12-24(38(30,52-22)36(48)49-3)50-35(47)18-7-5-4-6-8-18/h4-8,13-14,23-24,39,42-46H,9-12,15H2,1-3H3/t23-,24-,37?,38?/m1/s1
InChIKeyIFAHLFGOCSKGOE-GJQANOTHSA-N
ChEBI Ontology
Outgoing Relation(s)
Xanthonol (CHEBI:204577) is a xanthenes (CHEBI:38835)
IUPAC Name 
methyl (4R)-4-benzoyloxy-8,9-dihydroxy-6-methyl-1-oxo-7-[(5R)-1,5,9-trihydroxy-10a-(hydroxymethyl)-3-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-3,4-dihydro-2H-xanthene-4a-carboxylate
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