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CHEBI:171796 - Epoxybergamottin

ChEBI IDCHEBI:171796
ChEBI NameEpoxybergamottin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O5
Net Charge0
Average Mass354.402
Monoisotopic Mass354.14672
SMILESC/C(=C\COc1c2ccoc2cc2oc(=O)ccc12)CCC1OC1(C)C
InChIInChI=1S/C21H22O5/c1-13(4-6-18-21(2,3)26-18)8-10-24-20-14-5-7-19(22)25-17(14)12-16-15(20)9-11-23-16/h5,7-9,11-12,18H,4,6,10H2,1-3H3/b13-8+
InChIKeyOOKSPQLCQUBEKU-MDWZMJQESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
Epoxybergamottin (CHEBI:171796) is a psoralens (CHEBI:26369)
IUPAC Name 
4-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]uro[3,2-g]chromen-7-one
Manual XrefsDatabases
8122237ChemSpider
C22153KEGG COMPOUND
LMPK12160610LIPID MAPS