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CHEBI:215737 - Xanthoquinodin A9

ChEBI IDCHEBI:215737
ChEBI NameXanthoquinodin A9
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H26O11
Net Charge0
Average Mass574.538
Monoisotopic Mass574.14751
SMILESCOC(=O)[C@@]12Oc3cc4c(c(O)c3C(O)=C1C(=O)CC[C@@H]2O)[C@@H]1C=C[C@]2(C4)C(=C(O)c3c(O)cc(C)cc3[C@@H]2O)C1=O
InChIInChI=1S/C31H26O11/c1-11-7-14-20(16(33)8-11)26(37)23-24(35)13-5-6-30(23,28(14)39)10-12-9-17-21(25(36)19(12)13)27(38)22-15(32)3-4-18(34)31(22,42-17)29(40)41-2/h5-9,13,18,28,33-34,36-39H,3-4,10H2,1-2H3/t13-,18-,28-,30-,31-/m0/s1
InChIKeyVLSQSRKFBJKCDM-PZDSXNNWSA-N
Species of MetaboliteComponentSourceComments
Cytospora (ncbitaxon:117544) - PubMed (29677644)
ChEBI Ontology
Outgoing Relation(s)
Xanthoquinodin A9 (CHEBI:215737) is a xanthenes (CHEBI:38835)
IUPAC Name 
methyl (1R,7R,8S,17S,27S)-8,13,15,20,22,27-hexahydroxy-24-methyl-11,18-dioxo-6-oxaheptacyclo[15.10.2.01,19.03,16.05,14.07,12.021,26]nonacosa-3,5(14),12,15,19,21(26),22,24,28-nonaene-7-carboxylate
Manual XrefsDatabases
78442186ChemSpider