CHEBI:172445 - 3,5,6-Trihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-one

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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 3,5,6-Trihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-one
ChEBI ID CHEBI:172445
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H12O6
Net Charge 0
Average Mass 204.178
Monoisotopic Mass 204.06339
InChI InChI=1S/C8H12O6/c1-14-6-4(10)2-8(13,3-9)7(12)5(6)11/h7,9,11-13H,2-3H2,1H3
InChIKey KENOUOLPKKQXMX-UHFFFAOYSA-N
SMILES OC1(C(O)C(O)=C(OC)C(=O)C1)CO
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing 3,5,6-Trihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-one (CHEBI:172445) is a cyclohexenones (CHEBI:48953)
Incoming gadusol (CHEBI:228373) is a 3,5,6-Trihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-one (CHEBI:172445)
IUPAC Name
3,4,5-trihydroxy-5-(hydroxymethyl)-2-methoxycyclohex-2-en-1-one
Manual Xrefs Databases
169841 ChemSpider
FDB020901 FooDB
HMDB0041031 HMDB
View more database links
Registry Number Type Source
76663-30-4 CAS Registry Number ChEBI
Citation Waiting for Citations Type Source
7200360 PubMed citation Europe PMC
Last Modified
04 January 2024