input word = C00002267

Metabolite InformationStructural formula
Name Tomatidine
Formula C27H45NO2
Mw 415.34502969
CAS RN 77-59-8
C_ID C00002267 ,
InChIKey XYNPYHXGMWJBLV-MUEPWYEINA-N
InChICode InChI=1S/C27H45NO2/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/h16-24,28-29H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1
SMILES O[C@@H]1C[C@H]2[C@](CC1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@@H]1[C@H](C2)O[C@]2([C@H]1C)CC[C@@H](CN2)C)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp Cholesterol
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeLycopersicon esculentum Ref.
PlantaeSolanaceaeSolanum brevidens Ref.
PlantaeSolanaceaeSolanum demissum Ref.
PlantaeSolanaceaeSolanum kieseritzkii Ref.
PlantaeSolanaceaeSolanum lycopersicum Ref.
PlantaeSolanaceaeSolanum melongena Ref.
PlantaeSolanaceaeSolanum pimpinellifolium Jusl.Mill. Ref.
PlantaeSolanaceaeSolanum tuberosum Ref.
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