CHEBI:172553 - 1-Methoxy-3-(4-hydroxyphenyl)-2E-propenal 4'-glucoside

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 1-Methoxy-3-(4-hydroxyphenyl)-2E-propenal 4'-glucoside
ChEBI ID CHEBI:172553
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H22O7
Net Charge 0
Average Mass 326.345
Monoisotopic Mass 326.13655
InChI InChI=1S/C16H22O7/c1-21-8-2-3-10-4-6-11(7-5-10)22-16-15(20)14(19)13(18)12(9-17)23-16/h2-7,12-20H,8-9H2,1H3/b3-2+
InChIKey NZZJDBVBBHYGQX-NSCUHMNNSA-N
SMILES O1C(C(O)C(O)C(O)C1OC2=CC=C(C=C2)/C=C/COC)CO
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing 1-Methoxy-3-(4-hydroxyphenyl)-2E-propenal 4'-glucoside (CHEBI:172553) is a glycoside (CHEBI:24400)
IUPAC Name
2-(hydroxymethyl)-6-[4-[(E)-3-methoxyprop-1-enyl]phenoxy]oxane-3,4,5-triol
Manual Xrefs Databases
74886409 ChemSpider
HMDB0034755 HMDB
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