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 CC(C)=CCC[C@](C)(O)[C@@H]1[C@H]2C(=O)C[C@@H]3[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]2(C)C[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePolyscia fulva Ref.
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OrganismPolyscia fulva
ReferenceBedir,J.Nat.Prod.,64,(2001),95