input word = C00035867

Metabolite InformationStructural formula
Name Pentandroside F
(-)-Pentandroside F
Formula C57H96O30
Mw 1260.59864173
CAS RN 811799-66-3
C_ID C00035867 ,
InChIKey SUNMALBACVAEHN-OYQFCDJYNA-N
InChICode InChI=1S/C57H96O30/c1-20(19-77-50-43(72)39(68)35(64)29(14-58)79-50)7-10-57(76)21(2)34-28(87-57)12-25-23-6-5-22-11-27(26(63)13-56(22,4)24(23)8-9-55(25,34)3)78-51-46(75)42(71)47(33(18-62)83-51)84-54-49(86-53-45(74)41(70)37(66)31(16-60)81-53)48(38(67)32(17-61)82-54)85-52-44(73)40(69)36(65)30(15-59)80-52/h20-54,58-76H,5-19H2,1-4H3/t20-,21-,22-,23+,24-,25-,26+,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-,53-,54-,55-,56-,57+/m0/s1
SMILES [C@@H]1([C@@H](C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@@H]1[C@H](C2)O[C@@]([C@H]1C)(CC[C@@H](CO[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)C)O)C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeTribulus pentandrus Ref.
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