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CHEBI:188973 - Semiglabrinol

ChEBI IDCHEBI:188973
ChEBI NameSemiglabrinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H18O5
Net Charge0
Average Mass350.370
Monoisotopic Mass350.11542
SMILES[H][C@@]12Oc3ccc4c(=O)cc(-c5ccccc5)oc4c3[C@]1([H])[C@@H](O)C(C)(C)O2
InChIInChI=1S/C21H18O5/c1-21(2)19(23)17-16-14(25-20(17)26-21)9-8-12-13(22)10-15(24-18(12)16)11-6-4-3-5-7-11/h3-10,17,19-20,23H,1-2H3/t17-,19-,20+/m1/s1
InChIKeyXBKLVCYSINXGAW-RLLQIKCJSA-N
Species of MetaboliteComponentSourceComments
Staphylococcus Aureus (ncbitaxon:1280) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3859)
ChEBI Ontology
Outgoing Relation(s)
Semiglabrinol (CHEBI:188973) is a flavones (CHEBI:24043)
IUPAC Name 
(12S,15R,16R)-15-hydroxy-14,14-dimethyl-4-phenyl-3,11,13-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),4,8-tetraen-6-one
Manual XrefsDatabases
9210668ChemSpider
LMPK12110015LIPID MAPS