input word = C00043829

Metabolite InformationStructural formula
Name Polianthoside F
(-)-Polianthoside F
Formula C61H102O32
Mw 1346.63542117
CAS RN 655233-76-4
C_ID C00043829 ,
InChIKey NQXUZHURDPBNJB-GMNYZIJWNA-N
InChICode InChI=1S/C61H102O32/c1-22(19-81-53-46(77)42(73)39(70)32(15-62)85-53)7-12-61(80)23(2)36-31(93-61)14-28-26-6-5-24-13-25(8-10-59(24,3)27(26)9-11-60(28,36)4)84-56-47(78)43(74)49(35(18-65)88-56)89-58-52(51(41(72)34(17-64)87-58)91-55-45(76)38(69)30(67)21-83-55)92-57-48(79)50(40(71)33(16-63)86-57)90-54-44(75)37(68)29(66)20-82-54/h22-58,62-80H,5-21H2,1-4H3/t22-,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+,58+,59+,60+,61-/m1/s1
SMILES C1[C@H]2[C@H]([C@H]3[C@](C1)([C@@H]1[C@H](C3)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)CC[C@@H]1[C@@]2(CC[C@@H](C1)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](CO1)O)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)CO)CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAgavaceaePolianthes tuberosa Ref.
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OrganismPolianthes tuberosa
ReferenceJin,J.Nat.Prod.,67,(2004),5