input word = C00002717

Metabolite InformationStructural formula
Name 1-Caffeoyl-4-deoxyquinic acid
Formula C16H18O8
Mw 338.10016755
CAS RN 153444-59-8
C_ID C00002717 ,
InChIKey IQRPXVABWMLCMZ-IFHAWGIMNA-N
InChICode InChI=1S/C16H18O8/c17-10-6-11(18)8-16(7-10,15(22)23)24-14(21)4-2-9-1-3-12(19)13(20)5-9/h1-5,10-11,17-20H,6-8H2,(H,22,23)/b4-2+/t10-,11-/m0/s1
SMILES c1(c(ccc(c1)/C=C/C(=O)O[C@@]1(C[C@H](C[C@@H](C1)O)O)C(=O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeArachis paraguariensis Ref.
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OrganismArachis paraguariensis
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter42