input word = C00030469

Metabolite InformationStructural formula
Name Hemsgiganoside B
Formula C48H76O19
Mw 956.49808025
CAS RN 203514-06-1
C_ID C00030469 ,
InChIKey DSDNRWZSZQHXFQ-DUENAYERNA-N
InChICode InChI=1S/C48H76O19/c1-43(2)14-16-48(42(61)67-40-35(57)31(53)29(51)24(64-40)20-62-39-34(56)30(52)28(50)23(19-49)63-39)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)65-41-36(58)32(54)33(55)37(66-41)38(59)60/h8,22-37,39-41,49-58H,9-20H2,1-7H3,(H,59,60)/t22-,23+,24+,25-,26+,27-,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,39+,40-,41+,45-,46+,47+,48-/m0/s1
SMILES CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAcanthopanax senticosus Ref.
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