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CHEBI:198884 - Oxalicumone E

ChEBI IDCHEBI:198884
ChEBI NameOxalicumone E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18O8S
Net Charge0
Average Mass394.401
Monoisotopic Mass394.07224
SMILESCOC(=O)CC(O)(C(=O)OC)[C@@H]1Cc2c(oc3cc(C)cc(O)c3c2=O)S1
InChIInChI=1S/C18H18O8S/c1-8-4-10(19)14-11(5-8)26-16-9(15(14)21)6-12(27-16)18(23,17(22)25-3)7-13(20)24-2/h4-5,12,19,23H,6-7H2,1-3H3/t12-,18?/m0/s1
InChIKeyMFZYMIIJIRJVLM-RSXQAXDFSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (24767845)
ChEBI Ontology
Outgoing Relation(s)
Oxalicumone E (CHEBI:198884) is a chromones (CHEBI:23238)
IUPAC Name 
dimethyl 2-hydroxy-2-[(2S)-5-hydroxy-7-methyl-4-oxo-2,3-dihydrothieno[2,3-b]chromen-2-yl]butanedioate
Manual XrefsDatabases
78440753ChemSpider