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CHEBI:172604 - Cyclonormammein

ChEBI IDCHEBI:172604
ChEBI NameCyclonormammein
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H26O6
Net Charge0
Average Mass374.433
Monoisotopic Mass374.17294
SMILESCCCC(=O)c1c(O)c2c(c3c(CCC)cc(=O)oc13)OC(C(C)(C)O)C2
InChIInChI=1S/C21H26O6/c1-5-7-11-9-15(23)27-20-16(11)19-12(10-14(26-19)21(3,4)25)18(24)17(20)13(22)8-6-2/h9,14,24-25H,5-8,10H2,1-4H3
InChIKeyJTNLBEFPCCWLNM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Cyclonormammein (CHEBI:172604) is a furanocoumarin (CHEBI:24128)
IUPAC Name 
5-butanoyl-4-hydroxy-2-(2-hydroxypropan-2-yl)-9-propyl-2,3-dihydrouro[2,3-]chromen-7-one
Manual XrefsDatabases
35013151ChemSpider
HMDB0030164HMDB