input word = C00038011

Metabolite InformationStructural formula
Name Volubiloside B
(-)-Volubiloside B
Formula C47H78O20
Mw 962.50864493
CAS RN 485807-79-2
C_ID C00038011 ,
InChIKey SLQJNTVCPHOYBN-XYRMMAGDNA-N
InChICode InChI=1S/C47H78O20/c1-19(49)25-12-14-47(57)26-10-9-23-15-24(11-13-45(23,5)32(26)34(52)42(56)46(25,47)6)63-30-16-27(50)38(20(2)60-30)65-31-17-28(58-7)39(21(3)61-31)66-44-37(55)41(59-8)40(22(4)62-44)67-43-36(54)35(53)33(51)29(18-48)64-43/h9,19-22,24-44,48-57H,10-18H2,1-8H3/t19-,20-,21-,22-,24+,25-,26-,27+,28+,29-,30+,31+,32-,33+,34+,35+,36-,37-,38-,39-,40-,41+,42-,43+,44+,45+,46+,47+/m1/s1
SMILES CO[C@H]1[C@@H](O)[C@H](O[C@H]2[C@@H](OC)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@@H]5[C@H](O)[C@@H](O)[C@]5(C)[C@@H]([C@@H](C)O)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeDregea volubilis L. Ref.
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