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CHEBI:175987 - 6-Hydroxy-9,9-dimethyl-5-(3-methyl-1-oxobutyl)-1-propyl-3H,9H-[1,2]-dioxolo[3',4':4,5]furo[2,3-f][1]benzopyran-3-one

ChEBI IDCHEBI:175987
ChEBI Name6-Hydroxy-9,9-dimethyl-5-(3-methyl-1-oxobutyl)-1-propyl-3H,9H-[1,2]-dioxolo[3',4':4,5]furo[2,3-f][1]benzopyran-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26O7
Net Charge0
Average Mass402.443
Monoisotopic Mass402.16785
SMILESCCCc1cc(=O)oc2c(C(=O)CC(C)C)c(O)c3c(c12)OC1C3OOC1(C)C
InChIInChI=1S/C22H26O7/c1-6-7-11-9-13(24)26-18-14(11)19-16(17(25)15(18)12(23)8-10(2)3)20-21(27-19)22(4,5)29-28-20/h9-10,20-21,25H,6-8H2,1-5H3
InChIKeyHXNFGNDKYRUBRV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
6-Hydroxy-9,9-dimethyl-5-(3-methyl-1-oxobutyl)-1-propyl-3H,9H-[1,2]-dioxolo[3',4':4,5]furo[2,3-f][1]benzopyran-3-one (CHEBI:175987) is a furanocoumarin (CHEBI:24128)
IUPAC Name 
9-hydroxy-14,14-dimethyl-8-(3-methylbutanoyl)-3-propyl-6,12,13,16-tetraoxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2(7),3,8-tetraen-5-one
Manual XrefsDatabases
35013686ChemSpider
HMDB0034016HMDB