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CHEBI:197598 - Xanthoquinodin A3

ChEBI IDCHEBI:197598
ChEBI NameXanthoquinodin A3
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H24O11
Net Charge0
Average Mass572.522
Monoisotopic Mass572.13186
SMILESCOC(=O)[C@]1([C@@H]2CCC(=O)O2)CC(=O)c2c(cc3c(c2O)[C@@H]2C=C[C@]4(C3)C(=O)c3cc(C)cc(O)c3C(O)=C4C2=O)O1
InChIInChI=1S/C31H24O11/c1-12-7-15-22(16(32)8-12)27(37)24-25(35)14-5-6-30(24,28(15)38)10-13-9-18-23(26(36)21(13)14)17(33)11-31(42-18,29(39)40-2)19-3-4-20(34)41-19/h5-9,14,19,32,36-37H,3-4,10-11H2,1-2H3/t14-,19-,30+,31+/m0/s1
InChIKeyJUSHCXMJWBJGNO-MCQZTPTCSA-N
Species of MetaboliteComponentSourceComments
Humicola (ncbitaxon:5526) - PubMed (8514629)
ChEBI Ontology
Outgoing Relation(s)
Xanthoquinodin A3 (CHEBI:197598) is a chromones (CHEBI:23238)
IUPAC Name 
methyl (1S,7R,13S)-11,16,18-trihydroxy-20-methyl-9,14,23-trioxo-7-[(2S)-5-oxooxolan-2-yl]-6-oxahexacyclo[11.10.2.01,15.03,12.05,10.017,22]pentacosa-3,5(10),11,15,17(22),18,20,24-octaene-7-carboxylate
Manual XrefsDatabases
78436236ChemSpider