input word = C00050302

Metabolite InformationStructural formula
Name Pterodontoside H
Formula C21H36O7
Mw 400.2461035
CAS RN 186374-68-5
C_ID C00050302 ,
InChIKey GXPDJVACSBSJGX-VYDFLBSGNA-N
InChICode InChI=1S/C21H36O7/c1-11(2)12-5-7-20(3)14(9-12)21(4,26)8-6-15(20)28-19-18(25)17(24)16(23)13(10-22)27-19/h13-19,22-26H,5-10H2,1-4H3/t13-,14+,15+,16+,17+,18-,19+,20+,21+/m1/s1
SMILES C1C[C@@]([C@@H]2[C@@]([C@H]1O[C@@H]1O[C@@H]([C@@H]([C@H](O)[C@H]1O)O)CO)(CCC(=C(C)C)C2)C)(O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLaggera pterodonta Ref.
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