input word = C00055231

Metabolite InformationStructural formula
Name 1-(3,4-Dihydroxycinnamoyl)quinic acid
1-Caffeoylquinic acid
Formula C16H18O9
Mw 354.09508217
CAS RN 1241-87-8
C_ID C00055231
InChIKey GWTUHAXUUFROTF-JUHZACGLSA-N
InChICode InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+/t11-,12-,14-,16+/m1/s1
SMILES O=C(/C=C/c1ccc(O)c(O)c1)O[C@]1(C(=O)O)C[C@@H](O)[C@H](O)[C@H](O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFoeniculum vulgare Ref.
PlantaeAsteraceaeCynara scolymus Ref.
PlantaeMoraceaeMorus alba Ref.
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OrganismMorus alba
Referencehttps://doi.org/10.1002/jssc.200900348

https://doi.org/10.1016/j.jff.2012.01.006