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CHEBI:166496 - Repandiol

ChEBI IDCHEBI:166496
ChEBI NameRepandiol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC10H10O4
Net Charge0
Average Mass194.186
Monoisotopic Mass194.05791
SMILESOCC1OC1C#CC#CC1OC1CO
InChIInChI=1S/C10H10O4/c11-5-9-7(13-9)3-1-2-4-8-10(6-12)14-8/h7-12H,5-6H2
InChIKeyBQWDCZPSFPXRCB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Russula subnigricans (ncbitaxon:258989) - PubMed (1294319)
ChEBI Ontology
Outgoing Relation(s)
Repandiol (CHEBI:166496) is a epoxide (CHEBI:32955)
IUPAC Names 
[3-[4-[3-(hydroxymethyl)oxiran-2-yl]buta-1,3-diynyl]oxiran-2-yl]methanol
[(2R,3R)-3-[4-[(2R,3R)-3-(hydroxymethyl)oxiran-2-yl]buta-1,3-diynyl]oxiran-2-yl]methanol
Manual XrefsDatabases
HMDB0039606HMDB
112972ChemSpider
9302253ChemSpider
Registry NumbersSources
CAS:147921-90-2ChemIDplus