input word = C00056886

Metabolite InformationStructural formula
Name 2-[Octahydro-4,7-dimethyl-1-oxocyclopenta[c]pyran-3-yl]nepetalactam
Formula C20H29NO3
Mw 331.2147438
CAS RN 115421-74-4
C_ID C00056886
InChIKey QTRZXLVUEGDULY-ZQRXIWEDSA-N
InChICode InChI=1S/C20H29NO3/c1-10-5-7-14-12(3)9-21(18(22)16(10)14)19-13(4)15-8-6-11(2)17(15)20(23)24-19/h9-11,13-17,19H,5-8H2,1-4H3/t10-,11-,13+,14+,15+,16+,17+,19+/m0/s1
SMILES CC1=CN([C@]2([H])OC([C@@]([C@@H](C)CC3)([H])[C@@]3([H])[C@H]2C)=O)C([C@@]4([H])[C@]1([H])CC[C@@H]4C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeNepeta cataria Ref.
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