CHEBI:67649 - (+)-(7S,8S)-guaiacylglycerol-β-vanillic acid ether

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ChEBI Name (+)-(7S,8S)-guaiacylglycerol-β-vanillic acid ether ChEBI ID CHEBI:67649 ChEBI ASCII Name (+)-(7S,8S)-guaiacylglycerol-beta-vanillic acid ether Definition An aromatic ether in which the oxygen atom is connected to a guaiacylglyceryl and a vanillyl group. It has been isolated from the stems of Sinocalamus affinis. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C18H20O8 Net Charge 0 Average Mass 364.34660 Monoisotopic Mass 364.11582 InChI InChI=1S/C18H20O8/c1-24-14-7-10(3-5-12(14)20)17(21)16(9-19)26-13-6-4-11(18(22)23)8-15(13)25-2/h3-8,16-17,19-21H,9H2,1-2H3,(H,22,23)/t16-,17-/m0/s1 InChIKey UDFDXTXZIMXARD-IRXDYDNUSA-N SMILES COc1cc(ccc1O)[C@H](O)[C@H](CO)Oc1ccc(cc1OC)C(O)=O Metabolite of Species Details Sinocalamus affinis (IPNI:421970-1) Found in stem (BTO:0001300). 95% Ethanolic extract of skin-removed, air-dried, powdered stems. See: PubMed Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing (+)-(7S,8S)-guaiacylglycerol-β-vanillic acid ether (CHEBI:67649) has functional parent (+)-(7S,8S)-guaiacylglycerol (CHEBI:67646) (+)-(7S,8S)-guaiacylglycerol-β-vanillic acid ether (CHEBI:67649) has functional parent vanillic acid (CHEBI:30816) (+)-(7S,8S)-guaiacylglycerol-β-vanillic acid ether (CHEBI:67649) is a aromatic ether (CHEBI:35618) (+)-(7S,8S)-guaiacylglycerol-β-vanillic acid ether (CHEBI:67649) is a benzoic acids (CHEBI:22723) (+)-(7S,8S)-guaiacylglycerol-β-vanillic acid ether (CHEBI:67649) is a guaiacols (CHEBI:134251) (+)-(7S,8S)-guaiacylglycerol-β-vanillic acid ether (CHEBI:67649) is a triol (CHEBI:27136) IUPAC Name 4-{[(1S,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxybenzoic acid Registry Number Type Source 21559767 Reaxys Registry Number Reaxys Citation Type Source 21469695 PubMed citation Europe PMC Last Modified 07 April 2017