input word = C00038010

Metabolite InformationStructural formula
Name Volubiloside A
Formula C48H80O20
Mw 976.524295
CAS RN 485807-78-1
C_ID C00038010 ,
InChIKey BTLNMUKZJKKYNI-RIJDUVBWNA-N
InChICode InChI=1S/C48H80O20/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/h10,20-23,25-45,49-57H,11-19H2,1-9H3/t20-,21-,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 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](OC)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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