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CHEBI:175231 - Furomammea D

ChEBI IDCHEBI:175231
ChEBI NameFuromammea D
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SubmitterMetaboLights
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FormulaC22H28O7
Net Charge0
Average Mass404.459
Monoisotopic Mass404.18350
SMILESCCCc1cc(=O)oc2c(C(=O)CC(C)C)c(O)c3c(c12)OC(C(C)(C)OO)C3
InChIInChI=1S/C22H28O7/c1-6-7-12-9-16(24)28-21-17(12)20-13(10-15(27-20)22(4,5)29-26)19(25)18(21)14(23)8-11(2)3/h9,11,15,25-26H,6-8,10H2,1-5H3
InChIKeyKTMGXZPJSXTUNM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Furomammea D (CHEBI:175231) is a furanocoumarin (CHEBI:24128)
IUPAC Name 
2-(2-hydroperoxypropan-2-yl)-4-hydroxy-5-(3-methylbutanoyl)-9-propyl-2,3-dihydrouro[2,3-]chromen-7-one
Manual XrefsDatabases
HMDB0033708HMDB
35013660ChemSpider