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.
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OrganismSolanum dulcamara
ReferenceEdited by Jiangsu New Medicinal College, Chinese Medicine Dictionary, Shanghai Science and technology Press, Shanghai, (1979).

Chinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999)