input word = C00035939

Metabolite InformationStructural formula
Name 3-O-Feruloylquinic acid
Feruloylquinic acid
3-Ferulylquinic acid
Formula C17H20O9
Mw 368.11073224
CAS RN 1899-29-2
C_ID C00035939 ,
InChIKey RAGZUCNPTLULOL-HPVKOPIYNA-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+/m0/s1
SMILES COc1cc(/C=C/C(=O)O[C@H]2C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica furcijuga KITAGAWA Ref.
PlantaeApiaceaeDaucus carota Ref.
PlantaeApiaceaeFoeniculum vulgare Ref.
PlantaeAsteraceaeArtemisia annua Ref.
PlantaeAsteraceaeHelianthus annuus Ref.
PlantaePoaceaeCymbopogon citratus Ref.
PlantaeRosaceaePrunus avium Ref.
PlantaeRutaceaePhellodendron amurense Ref.
PlantaeRutaceaeRuta graveolens Ref.
PlantaeSolanaceaeLycopersicon esculentum Ref.
PlantaeSolanaceaeNicotiana tabacum Ref.
PlantaeSolanaceaeSolanum lycopersicum Ref.
--Caffea sp. Ref.
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OrganismHelianthus annuus
ReferenceAldrich Library of FT-IR Spectra, 1st edn.,1985, 2, 288C (ir)