input word = C00036702

Metabolite InformationStructural formula
Name Alatoside B
(-)-Alatoside B(Laggera alata)
Formula C21H34O9
Mw 430.22028269
CAS RN 610789-23-6
C_ID C00036702 ,
InChIKey VRWAILOEMVSAOI-XNKCLGHRNA-N
InChICode InChI=1S/C21H34O9/c1-10(18(26)27)11-4-5-20(2)7-12(8-21(3,28)14(20)6-11)29-19-17(25)16(24)15(23)13(9-22)30-19/h11-17,19,22-25,28H,1,4-9H2,2-3H3,(H,26,27)/t11-,12+,13-,14-,15-,16+,17-,19-,20+,21-/m1/s1
SMILES C1[C@H](C[C@@H]2[C@@](C1)(C[C@@H](C[C@]2(O)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C(=C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLaggera alata Ref.
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