input word = C00059512

Metabolite InformationStructural formula
Name [2S-(2alpha,3beta,4beta)]-4-[2-[(2,5-Dihydroxybenzoyl)oxy]ethyl]-3-ethenyl-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylic acid, methyl ester
Formula C24H30O13
Mw 526.16864105
CAS RN 126223-64-1
C_ID C00059512
InChIKey KJKLKRVCMADLEU-UHFFFAOYSA-N
InChICode InChI=1S/C24H30O13/c1-3-12-13(6-7-34-22(32)14-8-11(26)4-5-16(14)27)15(21(31)33-2)10-35-23(12)37-24-20(30)19(29)18(28)17(9-25)36-24/h3-5,8,10,12-13,17-20,23-30H,1,6-7,9H2,2H3
SMILES C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)c1cc(O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeGentiana verna Ref.
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