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CHEBI:227523 - Tolypocladenol B

ChEBI IDCHEBI:227523
ChEBI NameTolypocladenol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H27NO5
Net Charge0
Average Mass373.449
Monoisotopic Mass373.18892
SMILESCC=CC[C@H](C)C[C@H](C)C(O)=C1C(=O)N[C@H]([C@H](O)c2ccc(O)cc2)C1=O
InChIInChI=1S/C21H27NO5/c1-4-5-6-12(2)11-13(3)18(24)16-20(26)17(22-21(16)27)19(25)14-7-9-15(23)10-8-14/h4-5,7-10,12-13,17,19,23-25H,6,11H2,1-3H3,(H,22,27)/t12-,13-,17+,19+/m0/s1
InChIKeyIWIISBMWNKBQQH-CLKWJJAWSA-N
Species of MetaboliteComponentSourceComments
Tolypocladium cylindrosporum (ncbitaxon:38005) - PubMed (26356746)
ChEBI Ontology
Outgoing Relation(s)
Tolypocladenol B (CHEBI:227523) is a phenols (CHEBI:33853)
IUPAC Name 
(5R)-3-[(2S,4S)-1-hydroxy-2,4-dimethyloct-6-enylidene]-5-[(R)-hydroxy-(4-hydroxyphenyl)methyl]pyrrolidine-2,4-dione