input word = C00011909

Metabolite InformationStructural formula
Name Paniculide C
Formula C15H18O5
Mw 278.11542369
CAS RN 21764-34-1
C_ID C00011909 ,
InChIKey KOAZVDFZCVBRBA-SPHRCPJVNA-N
InChICode InChI=1S/C15H18O5/c1-8(2)4-3-5-9-11-10(19-14(9)18)6-15(7-16)13(20-15)12(11)17/h4,10,13,16H,3,5-7H2,1-2H3/t10-,13-,15-/m0/s1
SMILES [C@@H]12[C@](C[C@H]3C(=C(C(=O)O3)CCC=C(C)C)C1=O)(CO)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeAndrographis paniculata Ref.
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OrganismAndrographis paniculata
ReferenceAllison,J.Chem.Soc.Chem.Commun,(1968),1493