input word = C00017316

Metabolite InformationStructural formula
Name [1aR-(1aalpha,4alpha,4abeta,5beta,9aS*)]-1a,2,4,4a,5,9-hexahydro-4-hydroxy-4,4a,6-trimethyl-9-oxo-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 2-methyl-propanoic acid
Formula C19H24O6
Mw 348.1572885
CAS RN 59742-13-1
C_ID C00017316 ,
InChIKey LQKVDILBBCVRFW-OHYTWHDZNA-N
InChICode InChI=1S/C19H24O6/c1-9(2)16(21)24-15-12-10(3)8-23-13(12)14(20)19-11(25-19)6-7-17(4,22)18(15,19)5/h8-9,11,15,22H,6-7H2,1-5H3/t11-,15-,17-,18-,19+/m1/s1
SMILES C1C[C@@]([C@@]2([C@]3([C@@H]1O3)C(=O)c1c([C@H]2OC(=O)C(C)C)c(co1)C)C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSenecio salignus Ref.
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