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CHEBI:225153 - Tolypyridone E

ChEBI IDCHEBI:225153
ChEBI NameTolypyridone E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H25NO4
Net Charge0
Average Mass355.434
Monoisotopic Mass355.17836
SMILESC/C=C/C[C@H](C)C[C@@]1(C)OC2=C(c3ccc(O)cc3)C=NC(=O)C2[C@@H]1O
InChIInChI=1S/C21H25NO4/c1-4-5-6-13(2)11-21(3)19(24)17-18(26-21)16(12-22-20(17)25)14-7-9-15(23)10-8-14/h4-5,7-10,12-13,17,19,23-24H,6,11H2,1-3H3/b5-4+/t13-,17?,19-,21+/m0/s1
InChIKeyBJDWUKOKPUQHCU-UHSGNLAISA-N
Species of MetaboliteComponentSourceComments
Tolypocladiumspecies 49Y (ncbitaxon:2789198) - PubMed (33095987)
ChEBI Ontology
Outgoing Relation(s)
Tolypyridone E (CHEBI:225153) is a phenols (CHEBI:33853)
IUPAC Name 
(2R,3S)-3-hydroxy-7-(4-hydroxyphenyl)-2-methyl-2-[(E,2S)-2-methylhex-4-enyl]-3,3a-dihydrouro[3,2-c]pyridin-4-one