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 C1[C@]2([C@H](C([C@H](C1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O)O)CO)(C)C)CC[C@@]1([C@@H]2CC=C2[C@]1(CC[C@@]1([C@H]2CC(CC1)(C)C)CO)C)C)C
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