input word = C00013051

Metabolite InformationStructural formula
Name Dehydrobrachylaenolide
[3aS-(3aalpha,5abeta,9aalpha,9bbeta)]-3a,5,5a,9,9a,9b-Hexahydro-5a-methyl-3,9-bis(methylene)naphtho[1,2-b]furan-2,8(3H,4H)-dione
Formula C15H16O3
Mw 244.10994438
CAS RN 82460-97-7
C_ID C00013051 ,
InChIKey GYBDKJQMRUKMGE-PTYUTRKINA-N
InChICode InChI=1S/C15H16O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7,10,12-13H,1-2,4,6H2,3H3/t10-,12+,13-,15+/m0/s1
SMILES [C@H]12[C@@H]([C@@H]3[C@](CC1)(C=CC(=O)C3=C)C)OC(=O)C2=C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBrachylaena transvaalensis Ref.
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