CHEBI:166496 - Repandiol

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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 Repandiol
ChEBI ID CHEBI:166496
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C10H10O4
Net Charge 0
Average Mass 194.186
Monoisotopic Mass 194.05791
InChI InChI=1S/C10H10O4/c11-5-9-7(13-9)3-1-2-4-8-10(6-12)14-8/h7-12H,5-6H2
InChIKey BQWDCZPSFPXRCB-UHFFFAOYSA-N
SMILES O1C(C1C#CC#CC2OC2CO)CO
Metabolite of Species Details
Russula subnigricans (NCBI:txid258989) See: PubMed
ChEBI Ontology
Outgoing Repandiol (CHEBI:166496) is a epoxide (CHEBI:32955)
IUPAC Names
[(2R,3R)-3-[4-[(2R,3R)-3-(hydroxymethyl)oxiran-2-yl]buta-1,3-diynyl]oxiran-2-yl]methanol
[3-[4-[3-(hydroxymethyl)oxiran-2-yl]buta-1,3-diynyl]oxiran-2-yl]methanol
Manual Xrefs Databases
112972 ChemSpider
9302253 ChemSpider
HMDB0039606 HMDB
View more database links
Registry Number Type Source
147921-90-2 CAS Registry Number ChemIDplus