input word = C00022240

Metabolite InformationStructural formula
Name 14-Deoxy-11,14-didehydroandrographolide
Formula C20H28O4
Mw 332.19875938
CAS RN 42895-58-9
C_ID C00022240 ,
InChIKey XMJAJFVLHDIEHF-JUSOSRHNNA-N
InChICode InChI=1S/C20H28O4/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/h5-6,9,15-17,21-22H,1,4,7-8,10-12H2,2-3H3/b6-5+/t15-,16+,17-,19+,20+/m1/s1
SMILES C1[C@H]([C@]([C@@H]2[C@@](C1)([C@@H](C(=C)CC2)/C=C/C1=CCOC1=O)C)(CO)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeAndrographis paniculata Ref.
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