input word = C00056653

Metabolite InformationStructural formula
Name Durupcoside B
Formula C47H74O18
Mw 926.48751556
CAS RN 121521-92-4
C_ID C00056653
InChIKey DPXMETKXNWBGRI-AFPCQZQDSA-N
InChICode InChI=1S/C47H74O18/c1-42(2)14-16-47(41(58)59)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-36(65-38-31(53)28(50)23(49)20-60-38)34(33(55)35(64-40)37(56)57)63-39-32(54)30(52)29(51)24(19-48)61-39/h8,22-36,38-40,48-55H,9-20H2,1-7H3,(H,56,57)(H,58,59)/t22-,23-,24+,25-,26+,27-,28-,29+,30-,31+,32+,33-,34-,35-,36+,38-,39-,40+,44-,45+,46+,47-/m0/s1
SMILES O[C@H]([C@@H](O)[C@@H](O)CO1)[C@@H]1O[C@H]2[C@H](O[C@@H]3C(C)(C)[C@@](CC[C@]4(C)[C@]5([H])CC=C6[C@@]4(C)CC[C@]7(C(O)=O)[C@@]6([H])CC(C)(C)CC7)([H])[C@]5(C)CC3)O[C@H](C(O)=O)[C@@H](O)[C@@H]2O[C@H]8[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O8
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAralia elata Ref.
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