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CHEBI:221464 - Preubetaochromone A

ChEBI IDCHEBI:221464
ChEBI NamePreubetaochromone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H14O7S
Net Charge0
Average Mass338.337
Monoisotopic Mass338.04602
SMILESCOC(=O)[C@@]1(O)c2c(oc3cccc(O)c3c2=O)S[C@@H](C)[C@H]1O
InChIInChI=1S/C15H14O7S/c1-6-12(18)15(20,14(19)21-2)10-11(17)9-7(16)4-3-5-8(9)22-13(10)23-6/h3-6,12,16,18,20H,1-2H3/t6-,12+,15+/m0/s1
InChIKeyBPLWVCBQPIGTLA-FXICSDJMSA-N
Species of MetaboliteComponentSourceComments
Preussia africana (ncbitaxon:269684) - PubMed (22324636)
ChEBI Ontology
Outgoing Relation(s)
Preubetaochromone A (CHEBI:221464) is a chromones (CHEBI:23238)
IUPAC Name 
methyl (2S,3S,4R)-3,4,6-trihydroxy-2-methyl-5-oxo-2,3-dihydrothiopyrano[2,3-b]chromene-4-carboxylate
Manual XrefsDatabases
28289684ChemSpider