Mid012993: Alnustinol
Metabolite Information
Name
Alnustinol
IUPAC Name
(2R,3R)-3,5,7-trihydroxy-6-methoxy-2-phenyl-2,3-dihydrochromen-4-one
Molecular Formula
C16H14O6
Molecular Weight
302.28
Exact Mass
302.0790382
SMILES
COC1=C(C2=C(C=C1O)OC(C(C2=O)O)C3=CC=CC=C3)O
InChIKey
HFDPLPWGKGPTJB-LSDHHAIUSA-N
InChI
InChI=1S/C16H14O6/c1-21-16-9(17)7-10-11(13(16)19)12(18)14(20)15(22-10)8-5-3-2-4-6-8/h2-7,14-15,17,19-20H,1H3/t14-,15+/m0/s1
Other Databases Link
knapsack_C00008552
Structure
2D Structure
3D Conformer
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Phenylpropanoids and polyketides
Class:
Flavonoids
Subclass:
O-methylated flavonoids
Species containing this metabolite
| Erythrina variegata | Salvia plebeia |
Metabolite Spectrum Accession Label