input word = C00041034

Metabolite InformationStructural formula
Name Latifoloside G
Formula C59H96O26
Mw 1220.61898324
CAS RN 220997-51-3
C_ID C00041034 ,
InChIKey XOBMETAHXPDITA-TTXLVEHXNA-N
InChICode InChI=1S/C59H96O26/c1-23-12-17-59(53(74)85-52-45(40(70)36(66)29(21-61)80-52)83-48-41(71)37(67)33(63)24(2)77-48)19-18-56(7)26(47(59)58(23,9)75)10-11-31-55(6)15-14-32(54(4,5)30(55)13-16-57(31,56)8)81-51-46(84-49-42(72)38(68)34(64)25(3)78-49)44(27(62)22-76-51)82-50-43(73)39(69)35(65)28(20-60)79-50/h10,23-25,27-52,60-73,75H,11-22H2,1-9H3/t23-,24+,25+,27+,28-,29-,30+,31-,32+,33+,34+,35-,36-,37-,38-,39+,40+,41-,42-,43-,44+,45-,46-,47-,48+,49+,50+,51+,52+,55+,56-,57-,58-,59+/m1/s1
SMILES [C@H]1(CC[C@]2([C@@H]([C@]1(C)O)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@@]3(CC[C@@H](C1(C)C)O[C@H]1[C@@H]([C@H]([C@H](CO1)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O[C@H]1[C@@H]([C@@H]([C@@H](O)[C@@H](O1)C)O)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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex kudincha Ref.
PlantaeAquifoliaceaeIlex latifolia Ref.
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