input word = C00036919

Metabolite InformationStructural formula
Name Clerodermic acid
Formula C20H28O4
Mw 332.19875938
CAS RN 67594-82-5
C_ID C00036919 ,
InChIKey FEOFLRVZBOQGQA-JHWHDDQFNA-N
InChICode InChI=1S/C20H28O4/c1-13-7-9-20(3)15(18(22)23)5-4-6-16(20)19(13,2)10-8-14-11-17(21)24-12-14/h5,11,13,16H,4,6-10,12H2,1-3H3,(H,22,23)/t13-,16-,19+,20+/m1/s1
SMILES C1C=C([C@]2([C@H](C1)[C@]([C@@H](CC2)C)(CCC1=CC(=O)OC1)C)C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeClerodendrum inerme Ref.
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