input word = C00033108

Metabolite InformationStructural formula
Name Latifoloside J
(-)-Latifoloside J
Formula C53H86O21
Mw 1058.56615981
CAS RN 394698-49-8
C_ID C00033108 ,
InChIKey BYBDOLYZVJZQNG-FFVMYNCNNA-N
InChICode InChI=1S/C53H86O21/c1-22-12-17-53(47(65)74-46-41(37(62)34(59)27(20-54)70-46)73-44-39(64)36(61)32(57)24(3)69-44)19-18-50(7)25(42(53)52(22,9)66)10-11-29-49(6)15-14-30(48(4,5)28(49)13-16-51(29,50)8)71-45-40(33(58)26(55)21-67-45)72-43-38(63)35(60)31(56)23(2)68-43/h10,22-24,26-46,54-64,66H,11-21H2,1-9H3/t22-,23+,24+,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+/m1/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CC[C@H]([C@@]1(C)O)C)C(=O)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)C)O)O)O)O)O)CO)C)C)C)(C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex latifolia THUNB Ref.
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