input word = C00012248

Metabolite InformationStructural formula
Name [7R-(7R*,9S*,10E,11aR*)]- 9-(Acetyloxy)-5,6,7,8,9,11a-hexahydro-7-hydroxy-3-(hydroxymethyl)-10-methyl-6-methylenecyclodeca[b]furan-2(4H)-one,
13-Desacetyl-1alpha-hydroxyafraglaucolide
Formula C17H22O6
Mw 322.14163844
CAS RN 115334-66-2
C_ID C00012248 ,
InChIKey MCJAKNZUJXCHOQ-UXTMGCSXNA-N
InChICode InChI=1S/C17H22O6/c1-9-4-5-12-13(8-18)17(21)23-16(12)6-10(2)15(7-14(9)20)22-11(3)19/h6,14-16,18,20H,1,4-5,7-8H2,2-3H3/b10-6+/t14-,15+,16-/m1/s1
SMILES C1(=C)CCC2=C(C(=O)O[C@@H]2/C=C(/[C@H](C[C@H]1O)OC(=O)C)\C)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia judaica Ref.
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