CHEBI:213668 - Boremexin A

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ChEBI Name Boremexin A
ChEBI ID CHEBI:213668
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H18O8
Net Charge 0
Average Mass 398.367
Monoisotopic Mass 398.10017
InChI InChI=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
InChIKey WZDWSDPSJZCDHX-CYBMUJFWSA-N
SMILES O=C1OC2=C(C(=CC(=C2)O)C)OC3=C1C(=C(OC)C4=C3C=C[C@@H](O4)C(=O)OC)C
Metabolite of Species Details
Boeremia exigua (NCBI:txid749465) See: PubMed
ChEBI Ontology
Outgoing 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