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CHEBI:215710 - Spiroxanthoquinodin A

ChEBI IDCHEBI:215710
ChEBI NameSpiroxanthoquinodin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H30O13
Net Charge0
Average Mass622.579
Monoisotopic Mass622.16864
SMILESCOC(=O)[C@H]1C=C[C@]2(Cc3cc4c(c(O)c31)C(=O)C[C@](C(=O)OC)([C@@H]1CCC(=O)O1)O4)[C@@H](O)C(=O)c1c(O)cc(C)cc1[C@@H]2O
InChIInChI=1S/C32H30O13/c1-13-8-16-23(17(33)9-13)26(37)28(39)31(27(16)38)7-6-15(29(40)42-2)22-14(11-31)10-19-24(25(22)36)18(34)12-32(45-19,30(41)43-3)20-4-5-21(35)44-20/h6-10,15,20,27-28,33,36,38-39H,4-5,11-12H2,1-3H3/t15-,20-,27-,28-,31+,32+/m0/s1
InChIKeyUZLHOYMSNLJUDW-ROCUUYBPSA-N
Species of MetaboliteComponentSourceComments
Cytospora (ncbitaxon:117544) - PubMed (29677644)
ChEBI Ontology
Outgoing Relation(s)
Spiroxanthoquinodin A (CHEBI:215710) is a chromones (CHEBI:23238)
IUPAC Name 
dimethyl (1S,2S,2'R,3R,6'S)-1,3,5,5'-tetrahydroxy-7-methyl-4,4'-dioxo-2'-[(2S)-5-oxooxolan-2-yl]spiro[1,3-dihydronaphthalene-2,9'-6,10-dihydro-3H-cyclohepta[g]chromene]-2',6'-dicarboxylate
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78442181ChemSpider