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 demissum Ref.
PlantaeSolanaceaeSolanum kieseritzkii Ref.
PlantaeSolanaceaeSolanum lycopersicum Ref.
PlantaeSolanaceaeSolanum pimpinellifolium Jusl.Mill. Ref.
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OrganismSolanum demissum
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter29