input word = C00043764

Metabolite InformationStructural formula
Name Nephelioside I
Formula C46H76O15
Mw 868.51842176
CAS RN 656253-22-4
C_ID C00043764 ,
InChIKey JBHHSGRRSOLJHT-OHUGICFMNA-N
InChICode InChI=1S/C46H76O15/c1-41(2)14-16-46(22-48)17-15-44(6)23(24(46)18-41)8-9-29-43(5)12-11-30(42(3,4)28(43)10-13-45(29,44)7)59-40-37(61-39-35(55)33(53)32(52)27(19-47)58-39)36(26(50)21-57-40)60-38-34(54)31(51)25(49)20-56-38/h8,24-40,47-55H,9-22H2,1-7H3/t24-,25-,26+,27+,28-,29+,30-,31-,32+,33-,34+,35+,36-,37+,38-,39-,40-,43-,44+,45+,46+/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]6OC[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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OrganismNephelium maingayi
ReferenceIto,J.Nat.Prod.,67,(2004),201