input word = C00022415

Metabolite InformationStructural formula
Name Andrograpanin
3,14-Dideoxyandrographolide
Formula C20H30O3
Mw 318.21949482
CAS RN 82209-74-3
C_ID C00022415 ,
InChIKey WKKBRRFSRMDTJB-YDFKPMHZNA-N
InChICode InChI=1S/C20H30O3/c1-14-5-8-17-19(2,13-21)10-4-11-20(17,3)16(14)7-6-15-9-12-23-18(15)22/h9,16-17,21H,1,4-8,10-13H2,2-3H3/t16-,17-,19+,20+/m1/s1
SMILES C=C1CC[C@@H]2[C@](C)(CO)CCC[C@@]2(C)[C@@H]1CCC1=CCOC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeAndrographis affinis Ref.
PlantaeAcanthaceaeAndrographis paniculata Ref.
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