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CHEBI:205934 - Penibenzone B

Default Structure
ChEBI IDCHEBI:205934
ChEBI NamePenibenzone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26O6
Net Charge0
Average Mass386.444
Monoisotopic Mass386.17294
SMILESCOc1c([C@H](CC(C)C)OC)ccc(O)c1C(=O)c1c(O)cc(C)cc1C=O
InChIInChI=1S/C22H26O6/c1-12(2)8-18(27-4)15-6-7-16(24)20(22(15)28-5)21(26)19-14(11-23)9-13(3)10-17(19)25/h6-7,9-12,18,24-25H,8H2,1-5H3/t18-/m0/s1
InChIKeyNYVCMUXSLXFBIQ-SFHVURJKSA-N
Species of MetaboliteComponentSourceComments
Talaromyces purpureogenus (ncbitaxon:1266744) - PubMed (31833397)
ChEBI Ontology
Outgoing Relation(s)
Penibenzone B (CHEBI:205934) is a benzophenones (CHEBI:22726)
IUPAC Name 
3-hydroxy-2-[6-hydroxy-2-methoxy-3-(1-methoxy-3-methylbutyl)benzoyl]-5-methylbenzaldehyde