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CHEBI:185913 - Moreollin

ChEBI IDCHEBI:185913
ChEBI NameMoreollin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H42O8
Net Charge0
Average Mass590.713
Monoisotopic Mass590.28797
SMILESCCOC1C2CC3C(C)(C)OC(C/C=C(/C)C=O)(C2=O)C32Oc3c(CC=C(C)C)c4c(c(O)c3C(=O)C12)C=CC(C)(C)O4
InChIInChI=1S/C35H42O8/c1-9-40-30-22-16-23-33(7,8)43-34(31(22)39,15-12-19(4)17-36)35(23)25(30)27(38)24-26(37)20-13-14-32(5,6)41-28(20)21(29(24)42-35)11-10-18(2)3/h10,12-14,17,22-23,25,30,37H,9,11,15-16H2,1-8H3/b19-12-
InChIKeyIKFKEJSONUWRCD-UNOMPAQXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Moreollin (CHEBI:185913) is a pyranoxanthones (CHEBI:71238)
IUPAC Name 
(Z)-4-[16-ethoxy-12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enal
Manual XrefsDatabases
HMDB0030795HMDB
21424716ChemSpider