input word = C00006303

Metabolite InformationStructural formula
Name Vitexin 2''-O-(E)-ferulate
Formula C31H28O13
Mw 608.15299098
CAS RN 64763-03-7
C_ID C00006303 ,
InChIKey BWMUGBQOGNGHRB-TUFUNMFHNA-N
InChICode InChI=1S/C31H28O13/c1-41-21-10-14(2-8-17(21)34)3-9-24(37)44-31-29(40)27(38)23(13-32)43-30(31)26-19(36)12-22-25(28(26)39)18(35)11-20(42-22)15-4-6-16(33)7-5-15/h2-12,23,27,29-34,36,38-40H,13H2,1H3/b9-3+/t23-,27-,29+,30+,31+/m1/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1ccc(cc1)O)O)[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)OC(=O)/C=C/c1cc(c(cc1)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeSilene pratensis Ref.
PlantaeGentianaceaeGentiana punctata Ref.
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