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CHEBI:216762 - Xanthoquinodin A1

ChEBI IDCHEBI:216762
ChEBI NameXanthoquinodin A1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H24O11
Net Charge0
Average Mass572.522
Monoisotopic Mass572.13186
SMILESCOC(=O)C12Oc3cc4c(c(O)c3C(O)=C1C(=O)CCC2O)[C@@H]1C=C[C@@]2(C4)C(=O)c3cc(C)cc(O)c3C(O)=C2C1=O
InChIInChI=1S/C31H24O11/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/h5-9,13,18,33-34,36-38H,3-4,10H2,1-2H3/t13-,18?,30-,31?/m0/s1
InChIKeyXCWGCTNGDUDAMO-GWZGUCEHSA-N
Species of MetaboliteComponentSourceComments
Humicola (ncbitaxon:5526) - DOI (10.1016/s0040-4039(00)61403-x)
ChEBI Ontology
Outgoing Relation(s)
Xanthoquinodin A1 (CHEBI:216762) is a xanthenes (CHEBI:38835)
IUPAC Name 
methyl (1R,17S)-8,13,15,20,22-pentahydroxy-24-methyl-11,18,27-trioxo-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
78436218ChemSpider