input word = C00043769

Metabolite InformationStructural formula
Name nephelioside VI
(+)-nephelioside VI
Formula C47H78O16
Mw 898.52898644
CAS RN 656253-27-9
C_ID C00043769 ,
InChIKey DCXLHBGAGGUFMT-XEOYNQEINA-N
InChICode InChI=1S/C47H78O16/c1-42(2)15-16-44(5)23(17-42)22-9-10-28-45(6)13-12-30(43(3,4)27(45)11-14-46(28,7)47(22,8)18-29(44)51)61-41-38(63-40-36(57)34(55)32(53)25(19-48)59-40)37(33(54)26(20-49)60-41)62-39-35(56)31(52)24(50)21-58-39/h9,23-41,48-57H,10-21H2,1-8H3/t23-,24-,25+,26+,27-,28+,29-,30-,31-,32+,33+,34-,35+,36+,37-,38+,39-,40-,41-,44-,45-,46+,47+/m0/s1
SMILES CC1(C)CC[C@]2(C)[C@@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeNephelium maingayi Ref.
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