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CHEBI:214945 - Vancouverone B

ChEBI IDCHEBI:214945
ChEBI NameVancouverone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H29NO5
Net Charge0
Average Mass387.476
Monoisotopic Mass387.20457
SMILESCC=C(C)C[C@H](C)C[C@H](C)C(O)=C1C(=O)N[C@@H]([C@@H](O)c2ccc(O)cc2)C1=O
InChIInChI=1S/C22H29NO5/c1-5-12(2)10-13(3)11-14(4)19(25)17-21(27)18(23-22(17)28)20(26)15-6-8-16(24)9-7-15/h5-9,13-14,18,20,24-26H,10-11H2,1-4H3,(H,23,28)/t13-,14-,18-,20-/m0/s1
InChIKeyXMKADGQOSSRGKD-OACKDKIBSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.phytol.2020.07.008)
ChEBI Ontology
Outgoing Relation(s)
Vancouverone B (CHEBI:214945) is a phenols (CHEBI:33853)
IUPAC Name 
(5S)-5-[(S)-hydroxy-(4-hydroxyphenyl)methyl]-3-[(2S,4R)-1-hydroxy-2,4,6-trimethyloct-6-enylidene]pyrrolidine-2,4-dione