CHEBI:198893 - Hordeumflavin B

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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 Hordeumflavin B
ChEBI ID CHEBI:198893
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H48O5
Net Charge 0
Average Mass 476.698
Monoisotopic Mass 476.35017
InChI InChI=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
InChIKey SRIQXLDXMKFZIG-UHFFFAOYSA-N
SMILES O=C1C2(OC(=O)C(C2CC3C1COC(C3)CCC(C)C)C(=O)CCCCCCCCCCC)C
Metabolite of Species Details
Monascus (NCBI:txid5097) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78444480 ChemSpider
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