input word = C00046322

Metabolite InformationStructural formula
Name Polysciasoside A
(-)-Polysciasoside A
Formula C42H70O13
Mw 782.48164232
CAS RN 320343-86-0
C_ID C00046322 ,
InChIKey LCFYKMVVAVGCEZ-HDVOICKWNA-N
InChICode InChI=1S/C42H70O13/c1-20(2)11-10-14-42(9,51)29-23(45)18-41(8)28(29)22(44)17-26-39(6)15-13-27(38(4,5)25(39)12-16-40(26,41)7)54-37-35(33(49)31(47)24(19-43)53-37)55-36-34(50)32(48)30(46)21(3)52-36/h11,21,23-37,43,45-51H,10,12-19H2,1-9H3/t21-,23-,24+,25-,26+,27-,28+,29-,30-,31+,32+,33-,34+,35+,36-,37-,39-,40+,41+,42-/m0/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC(=O)[C@H]2[C@]1(C[C@@H]([C@@H]2[C@@](CCC=C(C)C)(C)O)O)C)C)C)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePolyscia fulva Ref.
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