input word = C00056426

Metabolite InformationStructural formula
Name Durupcoside A
Formula C47H74O18
Mw 926.48751556
CAS RN 107656-74-6
C_ID C00056426
InChIKey VIYRHEJRGYKIRZ-OHCQWQMCSA-N
InChICode InChI=1S/C47H74O18/c1-43(2)13-10-20-21(16-43)23-8-9-27-45(5)14-12-28(44(3,4)26(45)11-15-46(27,6)47(23,7)17-22(20)38(56)57)62-42-36(64-41-33(54)31(52)29(50)24(18-48)60-41)34(55)35(37(65-42)39(58)59)63-40-32(53)30(51)25(19-49)61-40/h8,20-22,24-37,40-42,48-55H,9-19H2,1-7H3,(H,56,57)(H,58,59)/t20?,21-,22+,24-,25+,26+,27-,28+,29-,30+,31+,32-,33-,34+,35+,36-,37+,40+,41+,42-,45+,46-,47-/m1/s1
SMILES CC1([C@@]([C@]2(C)CC[C@@H]1O[C@@H]3O[C@H](C(O)=O)[C@H]([C@@H]([C@H]3O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)O)O[C@@H]5O[C@@H](CO)[C@H](O)[C@H]5O)(CC[C@]6(C)[C@]2([H])CC=C7[C@@]6(C)C[C@H](C(O)=O)C8[C@@]7([H])CC(CC8)(C)C)[H])C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAralia elata Ref.
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