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

ChEBI IDCHEBI:86530
ChEBI Name1,2-diguaiacylpropane-1,3-diol
Stars
DefinitionA 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.
Last Modified7 April 2017
DownloadsMolfile
FormulaC17H20O6
Net Charge0
Average Mass320.341
Monoisotopic Mass320.12599
SMILESCOc1cc(C(O)C(CO)c2ccc(O)c(OC)c2)ccc1O
InChIInChI=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
InChIKeyDFUOJBWSSSODTR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Artemisia iwayomogi (ncbitaxon:265784) aerial part (BTO:0001658) DOI (10.1002/hlca.201300170.)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
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 NumbersSources
Reaxys:1892302Reaxys