input word = C00029683

Metabolite InformationStructural formula
Name Andrographic acid
Formula C20H28O6
Mw 364.18858863
CAS RN 760938-56-5
C_ID C00029683 ,
InChIKey IMDVHFGRDJPERC-AJZCHVLJNA-N
InChICode InChI=1S/C20H28O6/c1-12-4-7-15-19(2,9-8-16(22)20(15,3)11-21)14(12)6-5-13(18(25)26)10-17(23)24/h5-6,10,14-16,21-22H,1,4,7-9,11H2,2-3H3,(H,23,24)(H,25,26)/b6-5+,13-10-/t14-,15+,16-,19-,20+/m1/s1
SMILES C1(=C)CC[C@H]2[C@@]([C@@H]1/C=C/C(=C/C(=O)O)/C(=O)O)(CC[C@H]([C@]2(CO)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeAndrographis paniculata Ref.
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