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CHEBI:226225 - Penicixanthone B

ChEBI IDCHEBI:226225
ChEBI NamePenicixanthone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20O9
Net Charge0
Average Mass392.360
Monoisotopic Mass392.11073
SMILESCC1=C[C@H](O)[C@]2(O)C(=O)c3c(O)cccc3O[C@@]2(C)[C@H]1OC(=O)CCC(=O)O
InChIInChI=1S/C19H20O9/c1-9-8-12(21)19(26)16(25)15-10(20)4-3-5-11(15)28-18(19,2)17(9)27-14(24)7-6-13(22)23/h3-5,8,12,17,20-21,26H,6-7H2,1-2H3,(H,22,23)/t12-,17-,18-,19-/m0/s1
InChIKeyCJLMLHNXRQHXCE-TUCQFJRYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (32293887)
ChEBI Ontology
Outgoing Relation(s)
Penicixanthone B (CHEBI:226225) is a xanthones (CHEBI:51149)
IUPAC Name 
4-[[(1S,4S,4aS,9aR)-1,8,9a-trihydroxy-3,4a-dimethyl-9-oxo-1,4-dihydroxanthen-4-yl]oxy]-4-oxobutanoic acid