Mid0066: Pandangolide 1a


Name
Pandangolide 1a
IUPAC Name
(4S,6S,12S)-4,6-dihydroxy-12-methyl-oxacyclododecane-2,5-dione
Molecular Formula
C12H20O5
Molecular Weight
244.28
Exact Mass
244.1310737
SMILES
CC1CCCCCC(C(=O)C(CC(=O)O1)O)O
InChIKey
LSLSZASQWJAEHT-GUBZILKMSA-N
InChI
InChI=1S/C12H20O5/c1-8-5-3-2-4-6-9(13)12(16)10(14)7-11(15)17-8/h8-10,13-14H,2-7H2,1H3/t8-,9-,10-/m0/s1
Other Databases Link
CID_11687387
knapsack_C00042824
Structure
Classification
Alcohols
Crops containing this metabolite
sweet_potato
maize
rice
Related MS2T Accessions