input word = C00004208

Metabolite InformationStructural formula
Name Acacetin 7-(2''-acetylglucoside)
Isoagastachoside
Formula C24H24O11
Mw 488.13186161
CAS RN 78886-64-3
C_ID C00004208 ,
InChIKey LADIAAQZFHPJSX-WXVMNYTINA-N
InChICode InChI=1S/C24H24O11/c1-11(26)32-23-22(30)21(29)19(10-25)35-24(23)33-14-7-15(27)20-16(28)9-17(34-18(20)8-14)12-3-5-13(31-2)6-4-12/h3-9,19,21-25,27,29-30H,10H2,1-2H3/t19-,21-,22-,23+,24+/m0/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)OC)O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CO)O)O)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeAgastache rugosa Ref.
PlantaeLabiataeAgastache rugosus Ref.
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