input word = C00022232

Metabolite InformationStructural formula
Name 14-Deoxyandrographolide
Formula C20H30O4
Mw 334.21440945
CAS RN 4176-97-0
C_ID C00022232 ,
InChIKey GVRNTWSGBWPJGS-ZJRRATLQNA-N
InChICode InChI=1S/C20H30O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h9,15-17,21-22H,1,4-8,10-12H2,2-3H3/t15-,16+,17-,19-,20+/m1/s1
SMILES C1(=C)CC[C@H]2[C@@]([C@@H]1CCC1=CCOC1=O)(CC[C@H]([C@]2(CO)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeAndrographis paniculata Ref.
zoom in