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CHEBI:207607 - Xanthoquinodin B3

ChEBI IDCHEBI:207607
ChEBI NameXanthoquinodin B3
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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(O)cc3c(c2O1)[C@@H]1C=C[C@@]2(C3)C(=O)c3cc(C)cc(O)c3C(O)=C2C1=O
InChIInChI=1S/C31H24O11/c1-12-7-15-22(16(32)8-12)26(37)24-25(36)14-5-6-30(24,28(15)38)10-13-9-17(33)23-18(34)11-31(29(39)40-2,42-27(23)21(13)14)19-3-4-20(35)41-19/h5-9,14,19,32-33,37H,3-4,10-11H2,1-2H3/t14-,19-,30-,31+/m0/s1
InChIKeyMPTAKQJKPBVWCN-CLEZSSNSSA-N
Species of MetaboliteComponentSourceComments
Humicola (ncbitaxon:5526) - PubMed (8626243)
ChEBI Ontology
Outgoing Relation(s)
Xanthoquinodin B3 (CHEBI:207607) is a chromones (CHEBI:23238)
IUPAC Name 
methyl (1R,9R,13S)-5,16,18-trihydroxy-20-methyl-7,14,23-trioxo-9-[(2S)-5-oxooxolan-2-yl]-10-oxahexacyclo[11.10.2.01,15.03,12.06,11.017,22]pentacosa-3,5,11,15,17(22),18,20,24-octaene-9-carboxylate
Manual XrefsDatabases
78438428ChemSpider