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CHEBI:203027 - Tolypyridone A

ChEBI IDCHEBI:203027
ChEBI NameTolypyridone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H25NO3
Net Charge0
Average Mass339.435
Monoisotopic Mass339.18344
SMILESC[C@H]1C[C@@H]2[C@H](c3c(c(-c4ccc(O)cc4)cnc3=O)O[C@@H]2C)[C@@H](C)C1
InChIInChI=1S/C21H25NO3/c1-11-8-12(2)18-16(9-11)13(3)25-20-17(10-22-21(24)19(18)20)14-4-6-15(23)7-5-14/h4-7,10-13,16,18,23H,8-9H2,1-3H3,(H,22,24)/t11-,12+,13-,16+,18-/m1/s1
InChIKeyJKHFIPJZPCQUBU-HHQKBZALSA-N
Species of MetaboliteComponentSourceComments
Tolypocladium cylindrosporum (ncbitaxon:38005) - PubMed (26356746)
ChEBI Ontology
Outgoing Relation(s)
Tolypyridone A (CHEBI:203027) is a pyridochromene (CHEBI:53792)
IUPAC Name 
(6R,6aR,8R,10S,10aR)-4-(4-hydroxyphenyl)-6,8,10-trimethyl-2,6,6a,7,8,9,10,10a-octahydroisochromeno[4,3-c]pyridin-1-one
Manual XrefsDatabases
78440924ChemSpider