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CHEBI:216331 - Penicanesone A

ChEBI IDCHEBI:216331
ChEBI NamePenicanesone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18O8
Net Charge0
Average Mass386.356
Monoisotopic Mass386.10017
SMILESCOc1cc2c(c(O)c1O)[C@@]1(C)Oc3c(O)c(OC)cc(C=O)c3[C@@]1(C)C2=O
InChIInChI=1S/C20H18O8/c1-19-12-8(7-21)5-10(26-3)15(23)17(12)28-20(19,2)13-9(18(19)25)6-11(27-4)14(22)16(13)24/h5-7,22-24H,1-4H3/t19-,20+/m0/s1
InChIKeyXLKUOWMZGMHDKG-VQTJNVASSA-N
Species of MetaboliteComponentSourceComments
Penicillium canescens (ncbitaxon:5083) - PubMed (32118426)
ChEBI Ontology
Outgoing Relation(s)
Penicanesone A (CHEBI:216331) is a indanones (CHEBI:24789)
IUPAC Name 
(4bR,9bR)-3,4,6-trihydroxy-2,7-dimethoxy-4b,9b-dimethyl-10-oxoindeno[1,2-b][1]benzouran-9-carbaldehyde