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CHEBI:198893 - Hordeumflavin B

ChEBI IDCHEBI:198893
ChEBI NameHordeumflavin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H48O5
Net Charge0
Average Mass476.698
Monoisotopic Mass476.35017
SMILESCCCCCCCCCCCC(=O)C1C(=O)OC2(C)C(=O)C3COC(CCC(C)C)CC3CC12
InChIInChI=1S/C29H48O5/c1-5-6-7-8-9-10-11-12-13-14-25(30)26-24-18-21-17-22(16-15-20(2)3)33-19-23(21)27(31)29(24,4)34-28(26)32/h20-24,26H,5-19H2,1-4H3
InChIKeySRIQXLDXMKFZIG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Monascus (ncbitaxon:5097) - PubMed (23432151)
ChEBI Ontology
Outgoing Relation(s)
Hordeumflavin B (CHEBI:198893) is a carboxylic ester (CHEBI:33308)
Hordeumflavin B (CHEBI:198893) is a ketone (CHEBI:17087)
IUPAC Name 
3-dodecanoyl-9a-methyl-6-(3-methylbutyl)-3,3a,4,4a,5,6,8,8a-octahydrouro[3,2-g]isochromene-2,9-dione
Manual XrefsDatabases
78444480ChemSpider