input word = C00041603

Metabolite InformationStructural formula
Name isoandrographolide
Formula C20H30O5
Mw 350.20932407
CAS RN 4176-96-9
C_ID C00041603 ,
InChIKey QTYVPMSAPQBXMM-LFVDKNQVNA-N
InChICode InChI=1S/C20H30O5/c1-18-7-5-16(22)19(2,11-21)14(18)4-8-20(3)15(18)10-13(25-20)12-6-9-24-17(12)23/h6,13-16,21-22H,4-5,7-11H2,1-3H3/t13-,14+,15+,16-,18-,19+,20-/m1/s1
SMILES [C@]12([C@H](CC[C@@]3([C@H]1C[C@@H](O3)C1=CCOC1=O)C)[C@@]([C@@H](CC2)O)(CO)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeAndrographis paniculata Ref.
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OrganismAndrographis paniculata
ReferencePramanick,J.Nat.Prod.,69,(2006),403