input word = C00063025

Metabolite InformationStructural formula
Name (2S,3R,4S)-4-(1,3-Dioxolan-2-ylmethyl)-3-ethenyl-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylic acid, methyl ester
Formula C19H28O11
Mw 432.16316174
CAS RN 79409-45-3
C_ID C00063025
InChIKey HMNLQJQSKCTTFC-PXRCHJMLSA-N
InChICode InChI=1S/C19H28O11/c1-3-9-10(6-13-26-4-5-27-13)11(17(24)25-2)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h3,8-10,12-16,18-23H,1,4-7H2,2H3/t9-,10+,12-,14-,15+,16-,18+,19+/m1/s1
SMILES C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1OCCO1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeGentiana verna Ref.
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OrganismGentiana verna
Referencehttps://doi.org/10.1055/s-2006-960905