input word = C00012172

Metabolite InformationStructural formula
Name Ainsliaside B
Formula C21H28O9
Mw 424.17333249
CAS RN 93303-17-4
C_ID C00012172 ,
InChIKey SIOXYUXOHTZOOM-RVWUXHDBNA-N
InChICode InChI=1S/C21H28O9/c1-10-4-3-5-12(6-7-13-11(2)19(26)28-14(13)8-10)20(27)30-21-18(25)17(24)16(23)15(9-22)29-21/h5,8,13-18,21-25H,2-4,6-7,9H2,1H3/b10-8+,12-5+/t13-,14-,15+,16+,17-,18+,21-/m0/s1
SMILES C\1(=C\CC/C(=C/[C@H]2[C@@H](CC1)C(=C)C(=O)O2)/C)/C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAinsliaea dissecta Ref.
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