input word = C00058177

Metabolite InformationStructural formula
Name 5alpha-Tomatidan-3-one
Formula C27H43NO2
Mw 413.32937962
CAS RN 6870-84-4
C_ID C00058177
InChIKey VCYNHQOAZQMPOJ-TZNORDHQSA-N
InChICode InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-18,20-24,28H,5-15H2,1-4H3/t16-,17-,18-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1
SMILES C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeLycopersicon esculentum Ref.
PlantaeSolanaceaeLycopersicon hirsutum hybrid Ref.
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