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CHEBI:190372 - Morellinol

ChEBI IDCHEBI:190372
ChEBI NameMorellinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H38O7
Net Charge0
Average Mass546.660
Monoisotopic Mass546.26175
SMILESCC(C)=CCc1c2c(c(O)c3c1OC14C(=CC5CC1C(C)(C)OC4(C/C=C(\C)CO)C5=O)C3=O)C=CC(C)(C)O2
InChIInChI=1S/C33H38O7/c1-17(2)8-9-21-27-20(11-12-30(4,5)38-27)25(35)24-26(36)22-14-19-15-23-31(6,7)40-32(29(19)37,13-10-18(3)16-34)33(22,23)39-28(21)24/h8,10-12,14,19,23,34-35H,9,13,15-16H2,1-7H3/b18-10+
InChIKeyUWZMGTSPGQXAAP-VCHYOVAHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) intestinal content (NCIT:C189653) MetaboLights (MTBLS4101) Strain: C57BL/6J  [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
Morellinol (CHEBI:190372) is a pyranoxanthones (CHEBI:71238)
IUPAC Name 
12-hydroxy-19-[(E)-4-hydroxy-3-methylbut-2-enyl]-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaene-14,18-dione
Manual XrefsDatabases
4516326ChemSpider