input word = C00012889

Metabolite InformationStructural formula
Name Atractylenolide I
(4aS-trans)- 4a,5,6,7,8,8a-hexahydro-3,8a-dimethyl-5-methylenenaphtho[2,3-b]furan-2(4H)-one
Formula C15H18O2
Mw 230.13067982
CAS RN 73069-13-3
C_ID C00012889 ,
InChIKey ZTVSGQPHMUYCRS-OPNJQGHXNA-N
InChICode InChI=1S/C15H18O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h8,12H,1,4-7H2,2-3H3/t12-,15-/m0/s1
SMILES C=C1CCC[C@]2(C)C=C3OC(=O)C(C)=C3C[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAtractylodes japonica Ref.
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