input word = C00004181

Metabolite InformationStructural formula
Name Apigenin 7-(2''-glucosyllactate)
Formula C24H24O12
Mw 504.12677623
CAS RN 126394-94-3
C_ID C00004181 ,
InChIKey FOVBAKMOOZZENK-JWKWPQQONA-N
InChICode InChI=1S/C24H24O12/c1-10(33-24-22(31)21(30)20(29)18(9-25)36-24)23(32)34-13-6-14(27)19-15(28)8-16(35-17(19)7-13)11-2-4-12(26)5-3-11/h2-8,10,18,20-22,24-27,29-31H,9H2,1H3/t10-,18-,20-,21+,22-,24-/m1/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)O)O)OC(=O)[C@@H](C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeMarrubium vulgare Ref.
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