input word = C00043765

Metabolite InformationStructural formula
Name Nephelioside II
(+)-Nephelioside II
Formula C47H78O16
Mw 898.52898644
CAS RN 656253-23-5
C_ID C00043765 ,
InChIKey ZNXFYOPHFLYZEY-MXXRPIHXNA-N
InChICode InChI=1S/C47H78O16/c1-42(2)14-16-47(22-50)17-15-45(6)23(24(47)18-42)8-9-29-44(5)12-11-30(43(3,4)28(44)10-13-46(29,45)7)61-41-38(63-40-36(57)34(55)32(53)26(19-48)59-40)37(33(54)27(20-49)60-41)62-39-35(56)31(52)25(51)21-58-39/h8,24-41,48-57H,9-22H2,1-7H3/t24-,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(CO)CC[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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