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CHEBI:199993 - Xanthoquinodin B1

ChEBI IDCHEBI:199993
ChEBI NameXanthoquinodin B1
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H24O11
Net Charge0
Average Mass572.522
Monoisotopic Mass572.13186
SMILESCOC(=O)[C@]12Oc3c(c(O)cc4c3[C@@H]3C=C[C@]5(C4)C(=O)c4cc(C)cc(O)c4C(O)=C5C3=O)C(O)=C1C(=O)CC[C@@H]2O
InChIInChI=1S/C31H24O11/c1-11-7-14-20(16(33)8-11)25(37)23-24(36)13-5-6-30(23,28(14)39)10-12-9-17(34)21-26(38)22-15(32)3-4-18(35)31(22,29(40)41-2)42-27(21)19(12)13/h5-9,13,18,33-35,37-38H,3-4,10H2,1-2H3/t13-,18-,30+,31+/m0/s1
InChIKeyHVHUQDDJNAABOF-YNXNGXQESA-N
Species of MetaboliteComponentSourceComments
Humicola (ncbitaxon:5526) - PubMed (8514629)
ChEBI Ontology
Outgoing Relation(s)
Xanthoquinodin B1 (CHEBI:199993) is a xanthenes (CHEBI:38835)
IUPAC Name 
methyl (1S,12S,13S,17S)-5,7,12,20,22-pentahydroxy-24-methyl-9,18,27-trioxo-14-oxaheptacyclo[15.10.2.01,19.03,16.06,15.08,13.021,26]nonacosa-3,5,7,15,19,21(26),22,24,28-nonaene-13-carboxylate
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78436567ChemSpider