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CHEBI:209176 - Penicixanthene B

ChEBI IDCHEBI:209176
ChEBI NamePenicixanthene B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22O5
Net Charge0
Average Mass342.391
Monoisotopic Mass342.14672
SMILESCCCC(=O)c1c(O)ccc2c1Oc1cccc(O)c1[C@@H]2C[C@@H](C)O
InChIInChI=1S/C20H22O5/c1-3-5-14(22)19-16(24)9-8-12-13(10-11(2)21)18-15(23)6-4-7-17(18)25-20(12)19/h4,6-9,11,13,21,23-24H,3,5,10H2,1-2H3/t11-,13-/m1/s1
InChIKeyKEYSMLGWCOGLMJ-DGCLKSJQSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31756930)
ChEBI Ontology
Outgoing Relation(s)
Penicixanthene B (CHEBI:209176) is a xanthenes (CHEBI:38835)
IUPAC Name 
1-[(9R)-3,8-dihydroxy-9-[(2R)-2-hydroxypropyl]-9H-xanthen-4-yl]butan-1-one