input word = C00002723

Metabolite InformationStructural formula
Name Chicoric acid
Formula C22H18O12
Mw 474.07982604
CAS RN 70831-56-0
C_ID C00002723 ,
InChIKey YDDGKXBLOXEEMN-AWVUMMQMNA-N
InChICode InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m1/s1
SMILES c1(ccc(cc1O)/C=C/C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)/C=C/c1cc(c(cc1)O)O)C(=O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium obliquum Ref.
PlantaeAsteraceaeCichorium endivia Ref.
PlantaeAsteraceaeCichorium intybus Ref.
PlantaeAsteraceaeEchinacea spp. Ref.
PlantaeAsteraceaeLactuca sativa Ref.
PlantaeAsteraceaeTaraxacum officinale Ref.
PlantaeFabaceaePhaseolus vulgaris Ref.
PlantaeLabiataeOcimum basilicum Ref.
PlantaeLabiataeOriganum acutidens Ref.
PlantaeLabiataeOriganum vulgare Ref.
--Chicorum endiva Ref.
--Chicorum intybus Ref.
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