input word = C00041124

Metabolite InformationStructural formula
Name Seguinoside E
(-)-Seguinoside E
Formula C25H30O14
Mw 554.16355567
CAS RN 220778-23-4
C_ID C00041124 ,
InChIKey QHRHKYAZXRNVAA-GMXUWHOONA-N
InChICode InChI=1S/C25H30O14/c1-34-16-8-12(2-7-15(16)28)22(32)35-10-25(33)11-36-24(21(25)31)39-20-19(30)18(29)17(9-26)38-23(20)37-14-5-3-13(27)4-6-14/h2-8,17-21,23-24,26-31,33H,9-11H2,1H3/t17-,18-,19+,20-,21+,23-,24+,25-/m1/s1
SMILES COc1cc(C(=O)OC[C@@]2(O)CO[C@@H](O[C@H]3[C@H](Oc4ccc(O)cc4)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrsinaceaeMyrsine seguinii Ref.
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