input word = C00064318

Metabolite InformationStructural formula
Name Nigellone
Formula C18H22O4
Mw 302.15180919
CAS RN 39461-20-6
C_ID C00064318
InChIKey FPRGRROJPRIHJP-UHFFFAOYSA-N
InChICode InChI=1S/C20H24O4/c1-9(2)11-7-13(21)19(5)17(15(11)23)20(6)14(22)8-12(10(3)4)16(24)18(19)20/h7-10,17-18H,1-6H3
SMILES CC(C)C1=CC(=O)C2(C)C(C1=O)C1(C)C(=O)C=C(C(C)C)C(=O)C21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeNigella sativa Ref.
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