Met007472: 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol
Metabolite Information
Name
2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol
IUPAC Name
2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propane-1,3-diol
Molecular Formula
C13H20O5
Molecular Weight
256.29
Exact Mass
256.1310737
SMILES
COC1=C(C=CC(=C1)CCCO)OC(CO)CO
InChIKey
WAPGRPJEBCULTQ-UHFFFAOYSA-N
InChI
InChI=1S/C13H20O5/c1-17-13-7-10(3-2-6-14)4-5-12(13)18-11(8-15)9-16/h4-5,7,11,14-16H,2-3,6,8-9H2,1H3
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Benzenoids
Class:
Phenol ethers
Subclass:
Anisoles
Crops containing this metabolite
avocado
kiwifruit
kiwifruit
Metabolite Spectrum Accession Label