CHEBI:171796 - Epoxybergamottin

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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 Epoxybergamottin
ChEBI ID CHEBI:171796
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H22O5
Net Charge 0
Average Mass 354.402
Monoisotopic Mass 354.14672
InChI InChI=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+
InChIKey OOKSPQLCQUBEKU-MDWZMJQESA-N
SMILES O1C(C1CC/C(/C)=C/COC=2C3=C(OC=C3)C=C4OC(=O)C=CC24)(C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
8122237 ChemSpider
C22153 KEGG COMPOUND
LMPK12160610 LIPID MAPS
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