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CHEBI:209188 - Penicixanthene D

ChEBI IDCHEBI:209188
ChEBI NamePenicixanthene D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O5
Net Charge0
Average Mass356.418
Monoisotopic Mass356.16237
SMILESCCCC(=O)c1c(O)ccc([C@H]2CC[C@@H](O)c3cccc(OC)c32)c1O
InChIInChI=1S/C21H24O5/c1-3-5-16(23)20-17(24)11-9-13(21(20)25)12-8-10-15(22)14-6-4-7-18(26-2)19(12)14/h4,6-7,9,11-12,15,22,24-25H,3,5,8,10H2,1-2H3/t12-,15-/m1/s1
InChIKeyPDNKITHXMWOSQS-IUODEOHRSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31756930)
ChEBI Ontology
Outgoing Relation(s)
Penicixanthene D (CHEBI:209188) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
1-[2,6-dihydroxy-3-[(1R,4R)-4-hydroxy-8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]butan-1-one