input word = C00035528

Metabolite InformationStructural formula
Name Aquaticoside B
(-)-Aquaticoside B
Formula C23H28O12
Mw 496.15807636
CAS RN 765956-68-1
C_ID C00035528 ,
InChIKey MFWOJWBKCUMOEM-WMPHIUEHNA-N
InChICode InChI=1S/C23H28O12/c1-9-14(25)6-12-13(20(29)30)7-33-22(16(9)12)35-23-19(28)18(27)17(26)15(34-23)8-32-21(31)10-2-4-11(24)5-3-10/h2-5,7,9,12,14-19,22-28H,6,8H2,1H3,(H,29,30)/t9-,12-,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)c1ccc(cc1)O)[C@@H]([C@H](C2)O)C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeVeronica anagallis-aquatica Ref.
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