input word = C00012870

Metabolite InformationStructural formula
Name [4aS-(4aalpha,8beta,8abeta,9abeta)]-8-(Acetyloxy)-4a,7,8,8a,9,9a-hexahydro-9a-hydroxy-3,5,8a-trimethyl-naphtho[2,3-b]furan-2(4H)-one
Formula C17H22O5
Mw 306.14672381
CAS RN 108044-19-5
C_ID C00012870 ,
InChIKey GGOAIQOGIKLZRJ-JSBXMNEGNA-N
InChICode InChI=1S/C17H22O5/c1-9-5-6-14(21-11(3)18)16(4)8-17(20)13(7-12(9)16)10(2)15(19)22-17/h5,12,14,20H,6-8H2,1-4H3/t12-,14+,16+,17-/m0/s1
SMILES C1(=CC[C@H]([C@]2([C@H]1CC1=C(C(=O)O[C@]1(C2)O)C)C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeSmyrnium galaticum Ref.
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