input word = C00046772

Metabolite InformationStructural formula
Name Ialibinone A
(-)-Ialibinone A
Formula C21H28O4
Mw 344.19875938
CAS RN 256471-46-2
C_ID C00046772 ,
InChIKey WBAVIIHCFULVRM-OMLOLMSUNA-N
InChICode InChI=1S/C21H28O4/c1-10(2)12-8-21-13(19(12,5)6)9-20(7,18(21)25)16(23)14(17(21)24)15(22)11(3)4/h11-13,23H,1,8-9H2,2-7H3/t12-,13-,20-,21+/m0/s1
SMILES [C@]12(C(=C(C(=O)[C@@]3([C@@H](C1)C([C@@H](C3)C(=C)C)(C)C)C2=O)C(=O)C(C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypericaceaeHypericum papuanum Ref.
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