input word = C00029137

Metabolite InformationStructural formula
Name Tomatidenol
Formula C27H43NO2
Mw 413.32937962
CAS RN 546-40-7
C_ID C00029137 ,
InChIKey KWVISVAMQJWJSZ-QBNTYWKXNA-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/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1
SMILES C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3C4CC=C5C[C@@H](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
PlantaeLiliaceaeFritillaria camtschatcensis Ref.
PlantaeSolanaceaeSolanum dulcamara Ref.
PlantaeSolanaceaeSolanum havanense Ref.
PlantaeSolanaceaeSolanum lycopersicum Ref.
zoom in



OrganismSolanum havanense
ReferenceRipperger,Pharmazie,32,(1977),537