input word = C00046943

Metabolite InformationStructural formula
Name Surculoside A
(-)-Surculoside A
Formula C44H70O18
Mw 886.45621543
CAS RN 295313-04-1
C_ID C00046943 ,
InChIKey ADGFVVFVCCXJMY-YOYHFWNKNA-N
InChICode InChI=1S/C44H70O18/c1-18-15-56-44(13-26(18)47)19(2)30-27(62-44)12-25-23-7-6-21-10-22(58-39-35(52)33(50)36(28(14-45)59-39)61-40-37(53)43(54,16-46)17-55-40)11-29(42(21,5)24(23)8-9-41(25,30)4)60-38-34(51)32(49)31(48)20(3)57-38/h6,18-20,22-40,45-54H,7-17H2,1-5H3/t18-,19+,20-,22-,23-,24+,25+,26+,27+,28-,29-,30+,31+,32+,33+,34-,35-,36-,37+,38+,39-,40+,41+,42+,43-,44-/m1/s1
SMILES C[C@@H]1CO[C@]2(C[C@@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7OC[C@](O)(CO)[C@H]7O)[C@H](O)[C@H]6O)C[C@@H](O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)[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
PlantaeDracaenaceaeDracaena surculosa Ref.
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