input word = C00022416

Metabolite InformationStructural formula
Name Neoandrographolide
Formula C26H40O8
Mw 480.27231825
CAS RN 27215-14-1
C_ID C00022416 ,
InChIKey YGCYRQKJYWQXHG-PGDHKITANA-N
InChICode InChI=1S/C26H40O8/c1-15-5-8-19-25(2,14-33-24-22(30)21(29)20(28)18(13-27)34-24)10-4-11-26(19,3)17(15)7-6-16-9-12-32-23(16)31/h9,17-22,24,27-30H,1,4-8,10-14H2,2-3H3/t17-,18-,19-,20+,21+,22-,24-,25+,26+/m1/s1
SMILES C1C[C@]([C@@H]2[C@@](C1)([C@@H](C(=C)CC2)CCC1=CCOC1=O)C)(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeAdhatoda vasica Ref.
PlantaeAcanthaceaeAndrographis paniculata Ref.
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