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CHEBI:190349 - Artonin S

ChEBI IDCHEBI:190349
ChEBI NameArtonin S
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H28O7
Net Charge0
Average Mass452.503
Monoisotopic Mass452.18350
SMILESCOc1cc2oc3c(c(=O)c2c(O)c1CC=C(C)C)CC(C(C)(C)O)Oc1cc(O)ccc1-3
InChIInChI=1S/C26H28O7/c1-13(2)6-8-15-18(31-5)12-20-22(23(15)28)24(29)17-11-21(26(3,4)30)32-19-10-14(27)7-9-16(19)25(17)33-20/h6-7,9-10,12,21,27-28,30H,8,11H2,1-5H3
InChIKeyAZRHPJPAQJTIOC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) intestinal content (NCIT:C189653) MetaboLights (MTBLS4101) Strain: C57BL/6J  [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
Artonin S (CHEBI:190349) is a oxacycle (CHEBI:38104)
IUPAC Name 
3,9-dihydroxy-6-(2-hydroxypropan-2-yl)-11-methoxy-10-(3-methylbut-2-enyl)-6,7-dihydrochromeno[3,2-d][1]benzoxepin-8-one
Manual XrefsDatabases
LMPK12111525LIPID MAPS
24844326ChemSpider