input word = C00012246

Metabolite InformationStructural formula
Name [7S-(5Z,7R*,9R*,10E,11aS*)]-9-(acetyloxy)-7,8,9,11a-tetrahydro-7-hydroxy-3-(hydroxymethyl)-6,10-dimethylcyclodeca[b]furan-2(4H)-one,
13-Desacetyl-1beta-hydroxyafraglaucolide
Formula C17H22O6
Mw 322.14163844
CAS RN 115338-11-9
C_ID C00012246 ,
InChIKey UNANNKAWBHGWLX-QJRARMBYNA-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/h4,6,14-16,18,20H,5,7-8H2,1-3H3/b9-4-,10-6+/t14-,15+,16+/m0/s1
SMILES C\1(=C\CC2=C(C(=O)O[C@@H]2/C=C(/[C@@H](C[C@@H]1O)OC(=O)C)\C)CO)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia judaica Ref.
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