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CHEBI:218730 - Tolypocladenol A2

ChEBI IDCHEBI:218730
ChEBI NameTolypocladenol A2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H25NO4
Net Charge0
Average Mass355.434
Monoisotopic Mass355.17836
SMILESC/C=C\C[C@H](C)C[C@H](C)C(=O)C1=C(O)/C(=C/c2ccc(O)cc2)NC1=O
InChIInChI=1S/C21H25NO4/c1-4-5-6-13(2)11-14(3)19(24)18-20(25)17(22-21(18)26)12-15-7-9-16(23)10-8-15/h4-5,7-10,12-14,23,25H,6,11H2,1-3H3,(H,22,26)/b5-4-,17-12-/t13-,14-/m0/s1
InChIKeyRDWZVKSKGCILFF-YNDCVUDPSA-N
Species of MetaboliteComponentSourceComments
Tolypocladium cylindrosporum (ncbitaxon:38005) - PubMed (26356746)
ChEBI Ontology
Outgoing Relation(s)
Tolypocladenol A2 (CHEBI:218730) is a phenols (CHEBI:33853)
IUPAC Name 
(5Z)-3-[(Z,2S,4S)-2,4-dimethyloct-6-enoyl]-4-hydroxy-5-[(4-hydroxyphenyl)methylidene]pyrrol-2-one
Manual XrefsDatabases
78441559ChemSpider