input word = C00057793

Metabolite InformationStructural formula
Name Torvoside M
Formula C39H62O13
Mw 738.41904207
CAS RN 1163795-90-1
C_ID C00057793
InChIKey UGZAIRRHUYLUFQ-MKKAXVGWSA-N
InChICode InChI=1S/C39H62O14/c1-17-7-10-39(49-15-17)18(2)28-25(53-39)12-22-20-6-5-19-11-24(23(41)13-38(19,4)21(20)8-9-37(22,28)3)50-36-34(47)32(45)30(43)27(52-36)16-48-35-33(46)31(44)29(42)26(14-40)51-35/h5,17-18,20-36,40-47H,6-16H2,1-4H3/t17-,18-,20+,21-,22-,23-,24+,25-,26+,27+,28-,29+,30+,31-,32-,33+,34+,35+,36+,37-,38-,39+/m0/s1
SMILES C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)C[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
PlantaeSolanaceaeSolanum torvum Ref.
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