input word = C00063853

Metabolite InformationStructural formula
Name Deglucoserrulatoside
Formula C21H32O9
Mw 428.20463262
CAS RN 1415805-65-0
C_ID C00063853
InChIKey PBYCPIJCKWKOOI-WLSXKUEDSA-N
InChICode InChI=1S/C21H32O9/c1-11(2)5-17(25)30-20-18-12(7-22)3-4-15(18)13(9-27-20)10-28-21-19(26)16(24)6-14(8-23)29-21/h3,9,11,14-16,18-24,26H,4-8,10H2,1-2H3/t14-,15+,16+,18+,19-,20-,21+/m0/s1
SMILES CC(C)CC(=O)OC1OC=C(COC2OC(CO)CC(O)C2O)C2CC=C(CO)C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeGentiana macrophylla Ref.
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