input word = C00042735

Metabolite InformationStructural formula
Name methyl 4-O-coumaroylquinate
Formula C17H20O8
Mw 352.11581762
CAS RN 864467-51-6
C_ID C00042735 ,
InChIKey HDSDPFJFNJWIDZ-RAQIVURDNA-N
InChICode InChI=1S/C17H20O8/c1-24-16(22)17(23)8-12(19)15(13(20)9-17)25-14(21)7-4-10-2-5-11(18)6-3-10/h2-7,12-13,15,18-20,23H,8-9H2,1H3/b7-4+/t12-,13-,15-,17-/m1/s1
SMILES [C@]1(C[C@H]([C@H]([C@@H](C1)O)OC(=O)/C=C/c1ccc(cc1)O)O)(C(=O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVittariaceaeVittaria anguste-elongata Ref.
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