Mid0009: Harringtonolide


Name
Harringtonolide
IUPAC Name
(1S,11S,12R,13S,15R,16R,19S)-8,19-dimethyl-14,17-dioxahexacyclo[13.3.1.01,11.04,10.09,13.012,16]nonadeca-4,7,9-triene-6,18-dione
Molecular Formula
C19H18O4
Molecular Weight
310.3
Exact Mass
310.1205091
SMILES
CC1C2C3C4C5C1(CCC6=CC(=O)C=C(C(=C56)C4O2)C)C(=O)O3
InChIKey
QNJIIOHVULPMRL-GZRZMCSESA-N
InChI
InChI=1S/C19H18O4/c1-7-5-10(20)6-9-3-4-19-8(2)15-17(23-18(19)21)13-14(19)12(9)11(7)16(13)22-15/h5-6,8,13-17H,3-4H2,1-2H3/t8-,13-,14-,15-,16-,17-,19-/m1/s1
Other Databases Link
knapsack_C00000322
Structure
Classification
Alkaloids
Crops containing this metabolite
maize
cassava
wheat
Related MS2T Accessions