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 c1(cc(c(cc1)O)OC)/C=C/C(=O)O[C@H]1C[C@@](C[C@@H]([C@@H]1O)O)(O)C(=O)O
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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