input word = C00028293

Metabolite InformationStructural formula
Name gamma-Tomatine
Lycoperoside D
Formula C39H65NO12
Mw 739.45067655
CAS RN 81037-16-3
C_ID C00028293 ,
InChIKey KNFKROLCBJOHLX-GVOJDJCHNA-N
InChICode InChI=1S/C39H65NO12/c1-18-7-12-39(40-15-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(47)31(45)34(27(17-42)50-35)51-36-32(46)30(44)29(43)26(16-41)49-36/h18-36,40-47H,5-17H2,1-4H3/t18-,19-,20-,21-,22+,23-,24-,25-,26+,27+,28-,29+,30-,31-,32+,33+,34-,35+,36-,37-,38-,39-/m0/s1
SMILES C1[C@@H](C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@@H]1[C@H](C2)O[C@@]2([C@H]1C)NC[C@H](CC2)C)C)C)O[C@@H]1O[C@@H]([C@@H]([C@H]([C@H]1O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeLycopersicon esculentum Ref.
PlantaeSolanaceaeSolanum lycopersicum Ref.
PlantaeSolanaceaeSolanum lycopersicum Miller Ref.
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OrganismSolanum lycopersicum
ReferenceM.Itkin et al.,Sci.,341,(2013),175-179

[Pathway]