input word = C00013069

Metabolite InformationStructural formula
Name Irazunolide
[3aR-(3aalpha,4alpha,5abeta,9aalpha,9bbeta)]-4-(Acetyloxy)-3a,5,5a,9,9a,9b-hexahydro-5a-methyl-3,9-bis(methylene)naphtho[1,2-b]furan-2,8(3H,4H)-dione
Formula C17H18O5
Mw 302.11542369
CAS RN 84743-54-4
C_ID C00013069 ,
InChIKey CAWQZBRZFVTNGL-DJZCJEIHNA-N
InChICode InChI=1S/C17H18O5/c1-8-11(19)5-6-17(4)7-12(21-10(3)18)13-9(2)16(20)22-15(13)14(8)17/h5-6,12-15H,1-2,7H2,3-4H3/t12-,13+,14+,15-,17-/m0/s1
SMILES C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(C)=O)C[C@@]1(C)C=CC(=O)C(=C)[C@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHieracium irasuense Benth.ex Oerst. Ref.
PlantaeAsteraceaeHieracium irazuensis Ref.
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