input word = C00063246

Metabolite InformationStructural formula
Name trans-5-O-Feruloyl quinic acid
Formula C17H20O9
Mw 368.11073224
CAS RN 87099-72-7
C_ID C00063246
InChIKey RAGZUCNPTLULOL-KQJPBSFVSA-N
InChICode InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1
SMILES COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(O)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Caffea sp. Ref.
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