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CHEBI:197612 - Oxalicumone D

ChEBI IDCHEBI:197612
ChEBI NameOxalicumone D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18O9S
Net Charge0
Average Mass410.400
Monoisotopic Mass410.06715
SMILESCOC(=O)C(O)(C[C@@H](O)C(=O)O)[C@@H]1Cc2c(oc3cc(C)cc(O)c3c2=O)S1
InChIInChI=1S/C18H18O9S/c1-7-3-9(19)13-11(4-7)27-16-8(14(13)21)5-12(28-16)18(25,17(24)26-2)6-10(20)15(22)23/h3-4,10,12,19-20,25H,5-6H2,1-2H3,(H,22,23)/t10-,12+,18?/m1/s1
InChIKeyROHDJYQMXQAIJT-PNEOLHMJSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (24767845)
ChEBI Ontology
Outgoing Relation(s)
Oxalicumone D (CHEBI:197612) is a chromones (CHEBI:23238)
IUPAC Name 
(2R)-2,4-dihydroxy-4-[(2S)-5-hydroxy-7-methyl-4-oxo-2,3-dihydrothieno[2,3-b]chromen-2-yl]-5-methoxy-5-oxopentanoic acid
Manual XrefsDatabases
78440681ChemSpider