input word = C00034369

Metabolite InformationStructural formula
Name 14-Acetyl-3,19-isopropylideneandrographolide
Formula C25H36O6
Mw 432.25118888
CAS RN 372939-36-1
C_ID C00034369 ,
InChIKey HQUZOQGUMKRRHU-QBHLNEQMNA-N
InChICode InChI=1S/C25H36O6/c1-15-7-10-20-24(5,12-11-21-25(20,6)14-29-23(3,4)31-21)18(15)9-8-17-19(30-16(2)26)13-28-22(17)27/h8,18-21H,1,7,9-14H2,2-6H3/b17-8+/t18-,19-,20+,21-,24-,25+/m1/s1
SMILES C1[C@H]2[C@@]([C@@H](C(=C)C1)C/C=C/1\[C@@H](COC1=O)OC(=O)C)(CC[C@@H]1[C@]2(COC(O1)(C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeAndrographis paniculata Ref.
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