input word = C00012892

Metabolite InformationStructural formula
Name Neoalantolactone
Formula C15H20O2
Mw 232.14632988
CAS RN 66397-38-4
C_ID C00012892 ,
InChIKey CGVHAHMLYINLQL-UTVGRGCONA-N
InChICode InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,13H,4-6,8H2,1-3H3/t9-,13+,15+/m0/s1
SMILES [C@H]1(C2=CC3=C(C(=O)O[C@@H]3C[C@]2(CCC1)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeInula racemosa Ref.
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