input word = C00042501

Metabolite InformationStructural formula
Name Ethyl 4-O-caffeoylquinate
Formula C18H22O9
Mw 382.1263823
CAS RN 179231-08-4
C_ID C00042501 ,
InChIKey HPJJCRNQEWRFQW-IXIPXMEYNA-N
InChICode InChI=1S/C18H22O9/c1-2-26-17(24)18(25)8-13(21)16(14(22)9-18)27-15(23)6-4-10-3-5-11(19)12(20)7-10/h3-7,13-14,16,19-22,25H,2,8-9H2,1H3/b6-4+/t13-,14-,16-,18-/m1/s1
SMILES c1c(c(cc(c1)/C=C/C(=O)O[C@H]1[C@@H](C[C@](C[C@H]1O)(C(=O)OCC)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVittariaceaeVittaria anguste-elongata Ref.
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