input word = C00038012

Metabolite InformationStructural formula
Name Volubiloside C
(+)-Volubiloside C
Formula C48H78O20
Mw 974.50864493
CAS RN 246040-18-6
C_ID C00038012 ,
InChIKey VQYKTYLGTBPBEW-LTSZWCASNA-N
InChICode InChI=1S/C48H78O20/c1-20(50)26-13-15-48(57)27-11-10-24-16-25(12-14-46(24,5)33(27)35(52)43(56)47(26,48)6)64-31-17-28(58-7)39(21(2)61-31)66-32-18-29(59-8)40(22(3)62-32)67-45-38(55)42(60-9)41(23(4)63-45)68-44-37(54)36(53)34(51)30(19-49)65-44/h10,21-23,25-45,49,51-57H,11-19H2,1-9H3/t21-,22-,23-,25+,26-,27-,28+,29+,30-,31+,32+,33-,34+,35+,36+,37-,38-,39-,40-,41-,42-,43-,44+,45+,46+,47+,48+/m1/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)[C@@H]([C@H]([C@]1([C@@]3(CC[C@@H]1C(=O)C)O)C)O)O)O[C@@H]1O[C@@H]([C@H]([C@H](C1)OC)O[C@H]1C[C@@H]([C@@H]([C@H](O1)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)OC)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeDregea volubilis L. Ref.
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