input word = C00012864

Metabolite InformationStructural formula
Name [3aR-(3aalpha,7alpha,8beta,8abeta,9abeta)]-7-(acetyloxy)-3a,4,6,7,8,8a,9,9a-octahydro-8-hydroxy-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
2alpha-Acetoxy-8-epiivangustin
Formula C17H22O5
Mw 306.14672381
CAS RN 80931-30-2
C_ID C00012864 ,
InChIKey AJKMNMVLUJMHML-JMIYNJBUNA-N
InChICode InChI=1S/C17H22O5/c1-8-5-13(21-10(3)18)15(19)17(4)7-14-11(6-12(8)17)9(2)16(20)22-14/h11,13-15,19H,2,5-7H2,1,3-4H3/t11-,13+,14+,15-,17-/m1/s1
SMILES C=C1C(=O)O[C@H]2C[C@]3(C)C(=C(C)C[C@H](OC(C)=O)[C@H]3O)C[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEriophyllum lanatum Ref.
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