input word = C00035939

Metabolite InformationStructural formula
Name Feruloylquinic acid
3-O-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.
PlantaeAsteraceaeHelianthus annuus Ref.
PlantaeRutaceaePhellodendron amurense Ref.
PlantaeSolanaceaeLycopersicon esculentum Ref.
PlantaeSolanaceaeNicotiana tabacum Ref.
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