input word = C00013050

Metabolite InformationStructural formula
Name Brachylaenolide
[3aS-(3aalpha,5abeta,8alpha,9aalpha,9bbeta)]-3a,4,5,5a,8,9,9a,9b-Octahydro-8-hydroxy-5a-methyl-3,9-bis(methylene)naphtho[1,2-b]furan-2(3H)-one
Formula C15H18O3
Mw 246.12559444
CAS RN 82461-09-4
C_ID C00013050 ,
InChIKey NKWCMOOTGDQTSO-KZDZGRKHNA-N
InChICode InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7,10-13,16H,1-2,4,6H2,3H3/t10-,11+,12+,13-,15+/m0/s1
SMILES C1=C[C@@]2([C@H](C(=C)[C@@H]1O)[C@@H]1[C@@H](CC2)C(=C)C(=O)O1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBrachylaena transvaalensis Ref.
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