input word = C00029976

Metabolite InformationStructural formula
Name Cistanoside E
Formula C21H32O12
Mw 476.18937649
CAS RN 97400-08-3
C_ID C00029976 ,
InChIKey KNVLNWLGXNQJNJ-WQCPMONFNA-N
InChICode InChI=1S/C21H32O12/c1-9-14(24)16(26)17(27)21(31-9)33-19-15(25)13(8-22)32-20(18(19)28)30-6-5-10-3-4-11(23)12(7-10)29-2/h3-4,7,9,13-28H,5-6,8H2,1-2H3/t9-,13+,14-,15+,16+,17+,18+,19-,20+,21-/m0/s1
SMILES [C@H]1([C@H]([C@H]([C@@H](O[C@H]1C)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)OCCc1cc(c(cc1)O)OC)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeGlechoma hederacea L. Ref.
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