input word = C00023362

Metabolite InformationStructural formula
Name Andrographolide
Formula C20H30O5
Mw 350.20932407
CAS RN 5508-58-7
C_ID C00023362 ,
InChIKey BOJKULTULYSRAS-ITNCTILBNA-N
InChICode InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1
SMILES C1[C@H]([C@]([C@@H]2[C@@](C1)([C@@H](C(=C)CC2)C/C=C\1/C(=O)OC[C@H]1O)C)(CO)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeAndrographis paniculata Ref.
PlantaeSolanaceaeNicotiana tabacum Ref.
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OrganismNicotiana tabacum
ReferenceMa, D-M. et al., Front. Plant Sci., 10, (2019), 1370