input word = C00031755

Metabolite InformationStructural formula
Name Durupcoside C
(+)-Durupcoside C
Formula C47H76O18
Mw 928.50316563
CAS RN 864165-46-8
C_ID C00031755 ,
InChIKey YTQAPMVQQALREL-IQLMIWEPNA-N
InChICode InChI=1S/C47H76O18/c1-42(2)13-15-47(41(58)59)16-14-45(5)22(23(47)17-42)7-8-28-43(3)11-10-29(44(4,21-50)27(43)9-12-46(28,45)6)63-40-37(30(52)24(51)20-60-40)65-39-35(57)36(32(54)26(19-49)62-39)64-38-34(56)33(55)31(53)25(18-48)61-38/h7,23-40,48-57H,8-21H2,1-6H3,(H,58,59)/t23-,24-,25+,26+,27+,28+,29-,30-,31+,32+,33-,34+,35+,36-,37+,38-,39-,40-,43-,44-,45+,46+,47-/m0/s1
SMILES C1(CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(CC2)C)(CC[C@@H]1[C@@]3(CC[C@@H]([C@]1(CO)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)C)C)C(=O)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAralia elata Ref.
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