input word = C00033107

Metabolite InformationStructural formula
Name Latifoloside I
(+)-Latifoloside I
Formula C48H80O17
Mw 928.53955113
CAS RN 330659-56-8
C_ID C00033107 ,
InChIKey VPTBQYATMPQFPI-BQTQZFCMNA-N
InChICode InChI=1S/C48H80O17/c1-21-22(2)31-24-9-10-29-45(6)13-12-30(64-43-40(37(57)34(54)27(19-50)63-43)65-41-38(58)35(55)32(52)23(3)60-41)44(4,5)28(45)11-14-47(29,8)46(24,7)15-16-48(31,20-51)17-25(21)61-42-39(59)36(56)33(53)26(18-49)62-42/h9,21-23,25-43,49-59H,10-20H2,1-8H3/t21-,22-,23-,25+,26+,27+,28-,29+,30-,31-,32-,33+,34+,35+,36-,37-,38+,39+,40+,41-,42+,43-,45-,46+,47+,48-/m0/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)(C[C@H]([C@H]([C@@H]1C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)CO)C)C)C)(C)C)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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex latifolia THUNB Ref.
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