input word = C00012896

Metabolite InformationStructural formula
Name 2-Oxoalantolactone
[3aR-(3aalpha,5beta,8abeta,9aalpha)]-3,3a,5,6,8,8a,9,9a-Octahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2,7-dione
Formula C15H18O3
Mw 246.12559444
CAS RN 68776-46-5
C_ID C00012896 ,
InChIKey DSTJGYCTYZXZNH-GONHHBCLNA-N
InChICode InChI=1S/C15H18O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h5,8,11,13H,2,4,6-7H2,1,3H3/t8-,11+,13+,15+/m0/s1
SMILES [C@H]1(C2=C[C@H]3[C@@H](C[C@]2(CC(=O)C1)C)OC(=O)C3=C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeInula helenium Ref.
PlantaeAsteraceaeInula royleana Ref.
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OrganismInula royleana
ReferenceBhat,Tetrahedron,31,(1975),1001

Bohlmann,Phytochem.,17,(1978),1163