input word = C00010990

Metabolite InformationStructural formula
Name [3R-(3alph,3aalpha,7beta,7aalpha)]-7-Dimethyl-3,7a-bis(acetyloxy)hexahydro-3a 1,4-isobenzofurandione
Formula C14H18O7
Mw 298.10525293
CAS RN 115783-49-8
C_ID C00010990 ,
InChIKey IFRDBWYKZYXUJF-LGUTXAFVNA-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-/m0/s1
SMILES [C@H]1([C@]2([C@@](C(=O)CC1)([C@@H](OC2=O)OC(=O)C)C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeNepeta tuberosa Ref.
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