CHEBI:86530 - 1,2-diguaiacylpropane-1,3-diol

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ChEBI Name 1,2-diguaiacylpropane-1,3-diol
ChEBI ID CHEBI:86530
Definition A member of the class of propane-1,3-diols that is propane-1,3-diol substituted by 4-hydroxy-3-methoxyphenyl groups at positions 1 and 2 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H20O6
Net Charge 0
Average Mass 320.33710
Monoisotopic Mass 320.12599
InChI InChI=1S/C17H20O6/c1-22-15-7-10(3-5-13(15)19)12(9-18)17(21)11-4-6-14(20)16(8-11)23-2/h3-8,12,17-21H,9H2,1-2H3
InChIKey DFUOJBWSSSODTR-UHFFFAOYSA-N
SMILES COc1cc(ccc1O)C(O)C(CO)c1ccc(O)c(OC)c1
Metabolite of Species Details
Artemisia iwayomogi (NCBI:txid265784) Found in aerial part (BTO:0001658). See: DOI
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing 1,2-diguaiacylpropane-1,3-diol (CHEBI:86530) has role plant metabolite (CHEBI:76924)
1,2-diguaiacylpropane-1,3-diol (CHEBI:86530) is a guaiacols (CHEBI:134251)
1,2-diguaiacylpropane-1,3-diol (CHEBI:86530) is a propane-1,3-diols (CHEBI:26287)
IUPAC Name
1,2-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
Registry Number Type Source
1892302 Reaxys Registry Number Reaxys
Last Modified
07 April 2017