input word = C00046776

Metabolite InformationStructural formula
Name Ialibinone E
(-)-Ialibinone E
Formula C18H24O4
Mw 304.16745925
CAS RN 256471-50-8
C_ID C00046776 ,
InChIKey JMRRKXATSZWNTM-FZBBEAFWNA-N
InChICode InChI=1S/C18H24O4/c1-9(2)12(19)11-13(20)17(5)8-10-16(3,4)6-7-18(10,14(11)21)15(17)22/h9-10,20H,6-8H2,1-5H3/t10-,17-,18+/m0/s1
SMILES [C@]12(C(=C(C(=O)[C@@]3([C@@H](C1)C(CC3)(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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OrganismHypericum papuanum
ReferenceWinkelmann,J.Nat.Prod.,63,(2000),104