CHEBI:68963 - 3,4,5-trimethoxyphenyl-1-O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranoside

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ChEBI Name 3,4,5-trimethoxyphenyl-1-O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranoside
ChEBI ID CHEBI:68963
Definition A natural product found in Acer saccharum.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H30O13
Net Charge 0
Average Mass 478.44440
Monoisotopic Mass 478.16864
InChI InChI=1S/C20H30O13/c1-27-10-4-9(5-11(28-2)16(10)29-3)32-18-15(24)14(23)13(22)12(33-18)6-30-19-17(25)20(26,7-21)8-31-19/h4-5,12-15,17-19,21-26H,6-8H2,1-3H3/t12-,13-,14+,15-,17+,18-,19-,20-/m1/s1
InChIKey CKGKQISENBKOCA-FHXQZXMCSA-N
SMILES COc1cc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC
Metabolite of Species Details
Acer saccharum (NCBI:txid4024) Found in bark (BTO:0001301). The air-dried powder of the bark was extracted by maceration with methanol See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 3,4,5-trimethoxyphenyl-1-O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranoside (CHEBI:68963) has role metabolite (CHEBI:25212)
3,4,5-trimethoxyphenyl-1-O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranoside (CHEBI:68963) is a glycoside (CHEBI:24400)
Manual Xref Database
HMDB0038714 HMDB
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Citation Waiting for Citations Type Source
22032697 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:disaccharide(CHEBI:36233); ISA:benzenetriol(CHEBI:22707); ISA:methoxybenzene(CHEBI:51683); ISA:aromatic ether(CHEBI:35618); ISA:oxanes(CHEBI:46942); ISA:tertiary alcohol(CHEBI:26878); ISA:oxolanes(CHEBI:26912); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:acetal(CHEBI:59769); ISA:primary alcohol(CHEBI:15734);