input word = C00033109

Metabolite InformationStructural formula
Name Latifoloside K
(+)-Latifoloside K
Formula C53H84O21
Mw 1056.55050975
CAS RN 354537-14-7
C_ID C00033109 ,
InChIKey QQENWDXPMWMBGA-UBYVMCCWNA-N
InChICode InChI=1S/C53H84O21/c1-22-11-16-53(48(66)74-46-41(65)38(62)35(59)28(20-55)70-46)18-17-51(7)25(32(53)23(22)2)9-10-30-50(6)14-13-31(49(4,5)29(50)12-15-52(30,51)8)71-47-43(73-44-39(63)36(60)33(57)24(3)68-44)42(26(56)21-67-47)72-45-40(64)37(61)34(58)27(19-54)69-45/h9,22,24,26-31,33-47,54-65H,10-21H2,1-8H3/t22-,24+,26+,27-,28-,29+,30-,31+,33+,34-,35-,36-,37+,38+,39-,40-,41-,42+,43-,44+,45+,46+,47+,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)C1=C([C@@H](CC[C@@]1(CC2)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)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[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex latifolia THUNB Ref.
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