input word = C00055793

Metabolite InformationStructural formula
Name delta-Tomatine
Formula C33H55NO7
Mw 577.39785312
CAS RN 99304-79-7
C_ID C00055793
InChIKey JDRMNHOIHYWSFN-UHFFFAOYSA-N
InChICode InChI=1S/C33H55NO7/c1-17-7-12-33(34-15-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(38)28(37)27(36)25(16-35)40-30/h17-30,34-38H,5-16H2,1-4H3
SMILES CC(CC1)CNC21OC3CC4C5CCC6C(CCC(OC7C(O)C(O)C(O)C(CO)O7)C6)(C)C5CCC4(C)C3C2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum lycopersicum Ref.
zoom in