input word = C00035730

Metabolite InformationStructural formula
Name Pseudoproto-Pb
Formula C57H92O25
Mw 1176.59276849
CAS RN 102100-46-9
C_ID C00035730 ,
InChIKey MOSQNTRCEDPVHL-UYYCCRPYNA-N
InChICode InChI=1S/C57H92O25/c1-21(20-72-51-43(67)41(65)38(62)33(18-58)78-51)8-11-31-22(2)35-32(77-31)17-30-28-10-9-26-16-27(12-14-56(26,6)29(28)13-15-57(30,35)7)76-55-50(82-53-45(69)40(64)37(61)24(4)74-53)47(71)49(34(19-59)79-55)81-54-46(70)42(66)48(25(5)75-54)80-52-44(68)39(63)36(60)23(3)73-52/h9,21,23-25,27-30,32-55,58-71H,8,10-20H2,1-7H3/t21-,23+,24+,25+,27+,28-,29+,30+,32+,33-,34-,35+,36+,37+,38-,39-,40-,41+,42+,43-,44-,45-,46-,47+,48+,49-,50-,51-,52+,53+,54+,55-,56+,57+/m1/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)CC[C@]1([C@H]3C[C@H]2[C@@H]1C(=C(O2)CC[C@H](CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)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[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSmilacaceaeSmilax bockii Ref.
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OrganismSmilax bockii
ReferenceGuo,Phytochem.,65,(2004),481