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CHEBI:185370 - 3-Hydroxy-1-(8-hydroxy-6-methoxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)-3-methylbutan-2-yl acetate

ChEBI IDCHEBI:185370
ChEBI Name3-Hydroxy-1-(8-hydroxy-6-methoxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)-3-methylbutan-2-yl acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H24O7
Net Charge0
Average Mass352.383
Monoisotopic Mass352.15220
SMILESCOc1cc2c(c(O)c1CC(OC(C)=O)C(C)(C)O)C(=O)OC(C)C2
InChIInChI=1S/C18H24O7/c1-9-6-11-7-13(23-5)12(16(20)15(11)17(21)24-9)8-14(18(3,4)22)25-10(2)19/h7,9,14,20,22H,6,8H2,1-5H3
InChIKeyZSKZYWHCOISHNI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
3-Hydroxy-1-(8-hydroxy-6-methoxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)-3-methylbutan-2-yl acetate (CHEBI:185370) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
[3-hydroxy-1-(8-hydroxy-6-methoxy-3-methyl-1-oxo-3,4-dihydroisochromen-7-yl)-3-methylbutan-2-yl] acetate
Manual XrefsDatabases
HMDB0029972HMDB
35013112ChemSpider