input word = C00041788

Metabolite InformationStructural formula
Name Polygalatenoside E
Formula C22H32O13
Mw 504.18429111
CAS RN 93414-35-8
C_ID C00041788 ,
InChIKey NFIMXUUPAACHLN-RHNIGMJKNA-N
InChICode InChI=1S/C22H32O13/c1-30-12-6-11(4-3-5-23)7-13(31-2)17(12)34-20-18(16(27)15(26)14(8-24)33-20)35-21-19(28)22(29,9-25)10-32-21/h3-4,6-7,14-16,18-21,23-29H,5,8-10H2,1-2H3/b4-3+/t14-,15-,16+,18-,19+,20+,21+,22-/m1/s1
SMILES [C@H]1([C@H]([C@@H]([C@H](O[C@H]1Oc1c(cc(cc1OC)/C=C/CO)OC)CO)O)O)O[C@@H]1OC[C@]([C@H]1O)(O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygalaceaePolygala tenuifolia Ref.
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