input word = C00010991

Metabolite InformationStructural formula
Name [3S-(3alpha,3abeta,7beta,7abeta)]-7-Dimethyl-3,7a-bis(acetyloxy)hexahydro-3a 1,4-isobenzofurandione
Formula C14H18O7
Mw 298.10525293
CAS RN 115783-48-7
C_ID C00010991 ,
InChIKey IFRDBWYKZYXUJF-NEWGOBNANA-N
InChICode InChI=1S/C14H18O7/c1-7-5-6-10(17)13(4)12(19-8(2)15)20-11(18)14(7,13)21-9(3)16/h7,12H,5-6H2,1-4H3/t7-,12+,13+,14+/m1/s1
SMILES CC(=O)O[C@H]1OC(=O)[C@@]2(OC(C)=O)[C@H](C)CCC(=O)[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeNepeta tuberosa Ref.
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