input word = C00035529

Metabolite InformationStructural formula
Name Aquaticoside C
(+)-Aquaticoside C
Formula C23H26O11
Mw 478.14751167
CAS RN 765970-70-5
C_ID C00035529 ,
InChIKey YNPRPYLCRQBHMQ-BOOZWNJLNA-N
InChICode InChI=1S/C23H26O11/c1-10-14(24)7-12-13(20(28)29)8-32-22(16(10)12)34-23-19(27)18(26)17(25)15(33-23)9-31-21(30)11-5-3-2-4-6-11/h2-6,8,12,14-19,22-27H,1,7,9H2,(H,28,29)/t12-,14+,15-,16-,17-,18+,19-,22+,23+/m1/s1
SMILES O1C=C([C@@H]2[C@H]([C@@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)COC(=O)c1ccccc1)C(=C)[C@H](C2)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeVeronica anagallis-aquatica Ref.
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