CHEBI:175812 - 8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(1-oxobutyl)-4-propyl-2H-furo[2,3-h]-1-benzopyran-2-one

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ChEBI Name 8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(1-oxobutyl)-4-propyl-2H-furo[2,3-h]-1-benzopyran-2-one
ChEBI ID CHEBI:175812
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H26O6
Net Charge 0
Average Mass 374.433
Monoisotopic Mass 374.17294
InChI InChI=1S/C21H26O6/c1-5-7-11-9-15(23)27-19-12-10-14(21(3,4)25)26-20(12)17(13(22)8-6-2)18(24)16(11)19/h9,14,24-25H,5-8,10H2,1-4H3
InChIKey AHRWRZGWPYCGMI-UHFFFAOYSA-N
SMILES O1C(CC=2C1=C(C(O)=C3C2OC(=O)C=C3CCC)C(=O)CCC)C(O)(C)C
ChEBI Ontology
Outgoing 8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(1-oxobutyl)-4-propyl-2H-furo[2,3-h]-1-benzopyran-2-one (CHEBI:175812) is a furanocoumarin (CHEBI:24128)
IUPAC Name
6-butanoyl-5-hydroxy-8-(2-hydroxypropan-2-yl)-4-propyl-8,9-dihydrouro[2,3-h]chromen-2-one
Manual Xrefs Databases
23333299 ChemSpider
HMDB0030650 HMDB
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