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CHEBI:215722 - Cytosporanthraxanthone

ChEBI IDCHEBI:215722
ChEBI NameCytosporanthraxanthone
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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)cc(Cc3ccc(O)c4c3C(=O)c3cc(C)cc(O)c3C4=O)cc2O1
InChIInChI=1S/C31H24O11/c1-13-7-16-25(18(33)8-13)29(38)27-17(32)4-3-15(24(27)28(16)37)9-14-10-19(34)26-20(35)12-31(30(39)40-2,42-21(26)11-14)22-5-6-23(36)41-22/h3-4,7-8,10-11,22,32-34H,5-6,9,12H2,1-2H3/t22-,31+/m0/s1
InChIKeySEQLNRKXRTZQBH-WKRVVKTRSA-N
Species of MetaboliteComponentSourceComments
Cytospora (ncbitaxon:117544) - PubMed (29677644)
ChEBI Ontology
Outgoing Relation(s)
Cytosporanthraxanthone (CHEBI:215722) is a anthraquinone (CHEBI:22580)
IUPAC Name 
methyl (2R)-7-[(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)methyl]-5-hydroxy-4-oxo-2-[(2S)-5-oxooxolan-2-yl]-3H-chromene-2-carboxylate
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