input word = C00043940

Metabolite InformationStructural formula
Name Sumatranoside
(+)-Sumatranoside
Formula C48H93NO10
Mw 843.6799482
CAS RN 808772-53-4
C_ID C00043940 ,
InChIKey AQVPIVKUWUUSPC-ONKLJCKVNA-N
InChICode InChI=1S/C48H93NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(52)47(57)49-39(38-58-48-46(56)45(55)44(54)42(37-50)59-48)43(53)40(51)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h25,27,39-46,48,50-56H,3-24,26,28-38H2,1-2H3,(H,49,57)/b27-25-/t39-,40-,41-,42-,43+,44-,45+,46-,48-/m1/s1
SMILES [C@H]1([C@H]([C@@H]([C@H](O[C@H]1OC[C@@H](NC(=O)[C@H](O)CCCCCCCCCCCCCCCCCCCCCC)[C@@H]([C@@H](CCCC/C=C\CCCCCCCC)O)O)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeFabaceaeOrmosia sumatrana Ref.
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