input word = C00012930

Metabolite InformationStructural formula
Name [3aR-(3aalpha,8abeta,9aalpha)]-2,3,3a,4,6,7,8,8a,9,9a-Decahydro-8a-methyl-3-methylene-2-oxonaphtho[2,3-b]furan-5-carboxaldehyde
Isoinunal
Formula C15H18O3
Mw 246.12559444
CAS RN 116965-35-6
C_ID C00012930 ,
InChIKey VYLLFUOJMGLWSN-NVOPMDDPNA-N
InChICode InChI=1S/C15H18O3/c1-9-11-6-12-10(8-16)4-3-5-15(12,2)7-13(11)18-14(9)17/h8,11,13H,1,3-7H2,2H3/t11-,13-,15-/m1/s1
SMILES C1(=C2[C@](CCC1)(C[C@@H]1[C@H](C2)C(=C)C(=O)O1)C)C=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeInula racemosa Ref.
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