input word = C00052735

Metabolite InformationStructural formula
Name 5-O-Feruloylquinic acid
5-Feruloylquinic acid
Formula C17H20O9
Mw 368.11073224
CAS RN 40242-06-6
C_ID C00052735
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 COC1=C(O)C=CC(/C=C/C(O[C@@H]2C[C@@](O)(C(O)=O)C[C@@H](O)[C@@H]2O)=O)=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaePhellodendron amurense Ref.
PlantaeSolanaceaeNicotiana tabacum Ref.
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OrganismPhellodendron amurense
ReferenceXian, X. et al., J. Sep. Sci., 37, (2014), 1533-1545.