input word = C00013074

Metabolite InformationStructural formula
Name 8alpha-Acetoxytaurin
(3S,3aS,5aR,8R,9bS)-8-(Acetyloxy)-3a,5,5a,7,8,9b-hexahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,6(3H,4H)-dione
Formula C17H22O5
Mw 306.14672381
CAS RN 675603-61-9
C_ID C00013074 ,
InChIKey LZTSPGWUSNRINZ-SGBOARSZNA-N
InChICode InChI=1S/C17H22O5/c1-8-11-5-6-17(4)13(19)7-12(21-10(3)18)9(2)14(17)15(11)22-16(8)20/h8,11-12,15H,5-7H2,1-4H3/t8-,11-,12+,15-,17-/m0/s1
SMILES [C@H]12[C@@H](C3=C([C@@H](CC(=O)[C@@]3(CC1)C)OC(=O)C)C)OC(=O)[C@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia santonicum Ref.
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