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)CCC2[C@@H](C(=O)O)C[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]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[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
PlantaeAraliaceaeAralia elata Ref.
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