input word = C00033106

Metabolite InformationStructural formula
Name Latifoloside E
Formula C53H86O22
Mw 1074.56107443
CAS RN 194661-51-3
C_ID C00033106 ,
InChIKey XPHZAIDDYJZVAV-PNMURIIENA-N
InChICode InChI=1S/C53H86O22/c1-22-11-16-53(47(66)75-45-39(65)36(62)33(59)27(20-55)71-45)18-17-50(6)24(42(53)52(22,8)67)9-10-29-49(5)14-13-30(48(3,4)28(49)12-15-51(29,50)7)72-46-41(74-43-37(63)34(60)31(57)23(2)69-43)40(25(56)21-68-46)73-44-38(64)35(61)32(58)26(19-54)70-44/h9,22-23,25-46,54-65,67H,10-21H2,1-8H3/t22-,23-,25-,26+,27+,28+,29-,30+,31-,32+,33+,34+,35-,36-,37+,38+,39+,40-,41+,42-,43-,44-,45-,46-,49+,50-,51-,52+,53+/m0/s1
SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@@]5(C)[C@H]4CC=C4[C@@H]6[C@@](C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)(CC[C@H](C)[C@@]6(C)O)CC[C@@]45C)C3(C)C)OC[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex latifolia THUNB Ref.
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