input word = C00013053

Metabolite InformationStructural formula
Name 1alpha-Acetoxy-11beta(H),13-dihydrodouglanin
[3S-(3alpha,3aalpha,5abeta,6alpha,9aalpha,9bbeta)]-6-(Acetyloxy)-3a,4,5,5a,6,7,9a,9b-octahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Formula C17H24O4
Mw 292.16745925
CAS RN 125675-22-1
C_ID C00013053 ,
InChIKey NESWKHBGLOAXDL-KZEOQMHPNA-N
InChICode InChI=1S/C17H24O4/c1-9-5-6-13(20-11(3)18)17(4)8-7-12-10(2)16(19)21-15(12)14(9)17/h5,10,12-15H,6-8H2,1-4H3/t10-,12-,13-,14+,15-,17-/m0/s1
SMILES CC(=O)O[C@H]1CC=C(C)[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia herba-alba Ref.
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