Met002545: 2'-Hydroxyzearalanol
Metabolite Information
Name
2'-Hydroxyzearalanol
IUPAC Name
(4S,8R,12S)-8,12,16,18-tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-2-one
Molecular Formula
C18H26O6
Molecular Weight
338.4
Exact Mass
338.1729385
SMILES
CC1CCCC(CCCC(CC2=C(C(=CC(=C2)O)O)C(=O)O1)O)O
InChIKey
RUKNLXKLHDXQSW-UBHSHLNASA-N
InChI
InChI=1S/C18H26O6/c1-11-4-2-5-13(19)6-3-7-14(20)8-12-9-15(21)10-16(22)17(12)18(23)24-11/h9-11,13-14,19-22H,2-8H2,1H3/t11-,13-,14-/m0/s1
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Phenylpropanoids and polyketides
Class:
Macrolides and analogues
Subclass:
NA
Crops containing this metabolite
morus
Metabolite Spectrum Accession Label