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CHEBI:213668 - Boremexin A

ChEBI IDCHEBI:213668
ChEBI NameBoremexin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H18O8
Net Charge0
Average Mass398.367
Monoisotopic Mass398.10017
SMILESCOC(=O)[C@H]1C=Cc2c(c(OC)c(C)c3c2Oc2c(C)cc(O)cc2OC3=O)O1
InChIInChI=1S/C21H18O8/c1-9-7-11(22)8-14-16(9)29-18-12-5-6-13(20(23)26-4)27-19(12)17(25-3)10(2)15(18)21(24)28-14/h5-8,13,22H,1-4H3/t13-/m1/s1
InChIKeyWZDWSDPSJZCDHX-CYBMUJFWSA-N
Species of MetaboliteComponentSourceComments
Boeremia exigua (ncbitaxon:749465) - PubMed (31954739)
ChEBI Ontology
Outgoing Relation(s)
Boremexin A (CHEBI:213668) is a aromatic ether (CHEBI:35618)
IUPAC Name 
methyl (3R)-10-hydroxy-5-methoxy-6,12-dimethyl-7-oxo-3H-chromeno[5,6-b][1,5]benzodioxepine-3-carboxylate