input word = C00004148

Metabolite InformationStructural formula
Name Apigenin 7-(6''-ethylglucuronide)
Formula C23H22O11
Mw 474.11621155
CAS RN 62268-42-2
C_ID C00004148 ,
InChIKey ZPLSXLOSDYMYJW-CJKJZXGWNA-N
InChICode InChI=1S/C23H22O11/c1-2-31-22(30)21-19(28)18(27)20(29)23(34-21)32-12-7-13(25)17-14(26)9-15(33-16(17)8-12)10-3-5-11(24)6-4-10/h3-9,18-21,23-25,27-29H,2H2,1H3/t18-,19-,20+,21+,23+/m0/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)C(=O)OCC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea aspera Ref.
PlantaeAsteraceaeSilybum marianum Ref.
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