input word = C00043767

Metabolite InformationStructural formula
Name Nephelioside IV
(+)-Nephelioside IV
Formula C48H80O17
Mw 928.53955113
CAS RN 656253-25-7
C_ID C00043767 ,
InChIKey PSMYLMVERYGQNX-PWDJVOBXNA-N
InChICode InChI=1S/C48H80O17/c1-43(2)13-15-48(22-51)16-14-46(6)23(24(48)18-43)9-10-28-45(5)12-11-30(44(3,4)29(45)17-31(59-8)47(28,46)7)63-42-39(65-41-37(58)35(56)33(54)26(19-49)61-41)38(34(55)27(20-50)62-42)64-40-36(57)32(53)25(52)21-60-40/h9,24-42,49-58H,10-22H2,1-8H3/t24-,25-,26+,27+,28+,29-,30-,31+,32-,33+,34+,35-,36+,37+,38-,39+,40-,41-,42-,45+,46+,47-,48+/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)C[C@H]([C@@]1([C@@H]2CC=C2[C@]1(CC[C@@]1([C@H]2CC(CC1)(C)C)CO)C)C)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeNephelium maingayi Ref.
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