input word = C00058615

Metabolite InformationStructural formula
Name Mussaendoside V
Formula C42H66O16
Mw 826.43508606
CAS RN 194150-41-9
C_ID C00058615
InChIKey XWCOKRYXNPIVOR-UQBBNZGASA-N
InChICode InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(51)29(49)27(47)22(18-44)56-34)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(45)40(5,24(37)10-13-39(23,38)4)35(52)57-33-30(50)28(48)26(46)21(17-43)55-33/h7,19,21-34,43-51,54H,8-18H2,1-6H3/t19-,21-,22-,23-,24-,25+,26-,27-,28+,29+,30-,31-,32-,33+,34+,37-,38-,39-,40-,41-,42+/m1/s1
SMILES C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeMussaenda pubescens Ref.
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