input word = C00063095

Metabolite InformationStructural formula
Name rel-(1alpha,3R,4alpha,5R)-1,3,5-Trihydroxy-4-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]cyclohexanecarboxylic acid
Formula C16H18O8
Mw 338.10016755
CAS RN 82638-19-5
C_ID C00063095
InChIKey XWRHBGVVCOSNKO-BDZIJADZNA-N
InChICode InChI=1/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/s2
SMILES O=C(C=Cc1ccc(O)cc1)OC1C(O)CC(O)(C(=O)O)CC1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFoeniculum vulgare Ref.
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