input word = C00008449

Metabolite InformationStructural formula
Name Andrographidin A
Formula C23H26O10
Mw 462.15259705
CAS RN 11363-37-4
C_ID C00008449 ,
InChIKey HTJQSWAVTHDBPX-SIZJOGLWNA-N
InChICode InChI=1S/C23H26O10/c1-29-15-9-14(32-23-20(28)19(27)18(26)16(10-24)33-23)17-12(25)8-13(11-6-4-3-5-7-11)31-22(17)21(15)30-2/h3-7,9,13,16,18-20,23-24,26-28H,8,10H2,1-2H3/t13-,16+,18+,19-,20+,23+/m0/s1
SMILES c1c(c2c(c(c1OC)OC)O[C@@H](CC2=O)c1ccccc1)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
PlantaeAcanthaceaeAndrographis paniculata Ref.
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