input word = C00033807

Metabolite InformationStructural formula
Name Elephanoside B
(-)-Elephanoside B
Formula C51H86O24
Mw 1082.55090368
CAS RN 1005340-19-1
C_ID C00033807 ,
InChIKey RIQJROBIWRBZAI-OQIVCJBPNA-N
InChICode InChI=1S/C51H86O24/c1-20(19-67-45-40(63)37(60)33(56)28(15-52)69-45)7-12-51(66)21(2)32-27(75-51)14-26-24-6-5-22-13-23(8-10-49(22,3)25(24)9-11-50(26,32)4)68-48-44(74-47-42(65)39(62)35(58)30(17-54)71-47)43(36(59)31(18-55)72-48)73-46-41(64)38(61)34(57)29(16-53)70-46/h20-48,52-66H,5-19H2,1-4H3/t20-,21+,22-,23+,24-,25+,26+,27+,28-,29-,30-,31-,32+,33+,34+,35+,36+,37+,38+,39+,40-,41-,42-,43+,44-,45-,46+,47+,48-,49+,50+,51-/m1/s1
SMILES C[C@H](CCC1(O)O[C@H]2C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAgavaceaeYucca elephantipes Regel. Ref.
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