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CHEBI:175940 - Cyclomammein

ChEBI IDCHEBI:175940
ChEBI NameCyclomammein
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SubmitterMetaboLights
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FormulaC22H28O6
Net Charge0
Average Mass388.460
Monoisotopic Mass388.18859
SMILESCCCc1cc(=O)oc2c(C(=O)CC(C)C)c(O)c3c(c12)OC(C(C)(C)O)C3
InChIInChI=1S/C22H28O6/c1-6-7-12-9-16(24)28-21-17(12)20-13(10-15(27-20)22(4,5)26)19(25)18(21)14(23)8-11(2)3/h9,11,15,25-26H,6-8,10H2,1-5H3
InChIKeyTVYLJAPSHFFCMT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Cyclomammein (CHEBI:175940) is a furanocoumarin (CHEBI:24128)
IUPAC Name 
4-hydroxy-2-(2-hydroxypropan-2-yl)-5-(3-methylbutanoyl)-9-propyl-2,3-dihydrouro[2,3-]chromen-7-one
Manual XrefsDatabases
HMDB0030711HMDB
35013256ChemSpider