input word = C00011907

Metabolite InformationStructural formula
Name Paniculide A
Formula C15H20O4
Mw 264.13615913
CAS RN 21764-32-9
C_ID C00011907 ,
InChIKey TVGBYMMWMJGHSY-VPDQIQGJNA-N
InChICode InChI=1S/C15H20O4/c1-8(2)5-4-6-9-11-10(18-14(9)17)7-15(3)13(19-15)12(11)16/h5,10,12-13,16H,4,6-7H2,1-3H3/t10-,12-,13-,15+/m0/s1
SMILES C1[C@H]2C(=C(C(=O)O2)CCC=C(C)C)[C@@H]([C@H]2[C@@]1(O2)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeAndrographis paniculata Ref.
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