input word = C00004177

Metabolite InformationStructural formula
Name Apigenin 7-(6''-acetylglucoside)
Formula C23H22O11
Mw 474.11621155
CAS RN 72741-92-5
C_ID C00004177 ,
InChIKey LYFXRHUNCZZUTQ-JOGGKIJDNA-N
InChICode InChI=1S/C23H22O11/c1-10(24)31-9-18-20(28)21(29)22(30)23(34-18)32-13-6-14(26)19-15(27)8-16(33-17(19)7-13)11-2-4-12(25)5-3-11/h2-8,18,20-23,25-26,28-30H,9H2,1H3/t18-,20-,21+,22-,23-/m1/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)COC(=O)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeChamomilla recutita (L.) Rauschert Ref.
PlantaeAsteraceaeMatricaria chamomilla Ref.
PlantaeAsteraceaeMatricaria recutita Ref.
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