input word = C00062107

Metabolite InformationStructural formula
Name (1alpha,3R,4alpha,5R)-3,4,5-Trihydroxy-1-[[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]cyclohexanecarboxylic acid
Formula C17H20O9
Mw 368.11073224
CAS RN 53505-93-4
C_ID C00062107
InChIKey VUDGIKJFRLJLBR-RYPCIWMOSA-N
InChICode InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-17(16(23)24)7-11(19)15(22)12(20)8-17/h2-6,11-12,15,18-20,22H,7-8H2,1H3,(H,23,24)/t11-,12-,15-,17+/m1/s1
SMILES COc1cc(C=CC(=O)OC2(C(=O)O)CC(O)C(O)C(O)C2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFoeniculum vulgare Ref.
zoom in



OrganismFoeniculum vulgare
Referencehttps://doi.org/10.1021/jf030813h