input word = C00022371

Metabolite InformationStructural formula
Name 12alpha-Hydroxy-13-epimanoyl oxide
Formula C20H34O2
Mw 306.25588033
CAS RN 64681-70-5
C_ID C00022371 ,
InChIKey MIZHVKCAJCIZAG-DXIVHELANA-N
InChICode InChI=1S/C20H34O2/c1-7-19(5)16(21)13-15-18(4)11-8-10-17(2,3)14(18)9-12-20(15,6)22-19/h7,14-16,21H,1,8-13H2,2-6H3/t14-,15+,16-,18-,19-,20+/m0/s1
SMILES C1CC([C@H]2[C@](C1)([C@@H]1[C@@](CC2)(O[C@]([C@H](C1)O)(C=C)C)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeNicotiana tabacum Ref.
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OrganismNicotiana tabacum
ReferenceGiles,Tetrahedron,18,(1962),169