input word = C00031746

Metabolite InformationStructural formula
Name Dichotomoside E
(-)-Dichotomoside E
Formula C20H30O9
Mw 414.18898256
CAS RN 845673-21-4
C_ID C00031746 ,
InChIKey XTIIKSGREOOAOR-JCOQUZLQNA-N
InChICode InChI=1S/C20H30O9/c1-3-4-9-27-16(22)8-6-12-5-7-13(14(10-12)26-2)28-20-19(25)18(24)17(23)15(11-21)29-20/h5,7,10,15,17-21,23-25H,3-4,6,8-9,11H2,1-2H3/t15-,17-,18+,19-,20-/m1/s1
SMILES c1c(c(cc(c1)CCC(=O)OCCCC)OC)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeStellaria dichotoma L.var.lanceolata Ref.
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