input word = C00042739

Metabolite InformationStructural formula
Name Methyl-4-O-caffeoylquinate
(+)-Methyl-4-O-caffeoylquinate
Formula C17H20O9
Mw 368.11073224
CAS RN 123372-74-7
C_ID C00042739 ,
InChIKey SMFKCIHIAHWGGL-BADWVSBWNA-N
InChICode InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(13(21)8-17)26-14(22)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-21,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1
SMILES COC(=O)[C@]1(O)C[C@@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVittariaceaeVittaria anguste-elongata Ref.
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