input word = C00004182

Metabolite InformationStructural formula
Name Apigenin 7-(2''-glucuronosyllactate)
Formula C24H22O13
Mw 518.10604079
CAS RN 126394-92-1
C_ID C00004182 ,
InChIKey RIEOGMJFSBPALR-JBFQVZDHNA-N
InChICode InChI=1S/C24H22O13/c1-9(34-24-20(30)18(28)19(29)21(37-24)22(31)32)23(33)35-12-6-13(26)17-14(27)8-15(36-16(17)7-12)10-2-4-11(25)5-3-10/h2-9,18-21,24-26,28-30H,1H3,(H,31,32)/t9-,18+,19+,20-,21+,24-/m1/s1
SMILES CC(O[C@@H]1OC(C(=O)O)[C@@H](O)[C@H](O)C1O)C(=O)Oc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeMarrubium vulgare Ref.
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