input word = C00058732

Metabolite InformationStructural formula
Name Spinoside D1
Formula C48H76O19
Mw 956.49808025
CAS RN 151271-82-8
C_ID C00058732
InChIKey JJXSXIOEXNGBTI-PMBICJHASA-N
InChICode InChI=1S/C48H76O19/c1-21-29(51)31(53)34(56)39(63-21)66-37-24(19-49)64-38(36(58)33(37)55)62-20-25-30(52)32(54)35(57)40(65-25)67-42(61)48-16-14-44(4,41(59)60)18-23(48)22-8-9-27-45(5)12-11-28(50)43(2,3)26(45)10-13-47(27,7)46(22,6)15-17-48/h8,21,23-40,49-58H,9-20H2,1-7H3,(H,59,60)/t21-,23-,24+,25+,26-,27+,28+,29-,30+,31+,32-,33+,34+,35+,36+,37+,38+,39-,40-,44+,45-,46+,47+,48-/m0/s1
SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CC[C@@](C)(C(=O)O)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@@H](O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAcanthopanax spinosus Ref.
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