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CHEBI:213680 - Boremexin C

Default Structure
ChEBI IDCHEBI:213680
ChEBI NameBoremexin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O9
Net Charge0
Average Mass416.382
Monoisotopic Mass416.11073
SMILESCOC(=O)[C@H](O)/C=C/c1c(O)c(OC)c(C)c2c1Oc1c(C)cc(O)cc1OC2=O
InChIInChI=1S/C21H20O9/c1-9-7-11(22)8-14-17(9)30-19-12(5-6-13(23)20(25)28-4)16(24)18(27-3)10(2)15(19)21(26)29-14/h5-8,13,22-24H,1-4H3/b6-5+/t13-/m1/s1
InChIKeyDSLBGVYVQAERAP-URWSZGRFSA-N
Species of MetaboliteComponentSourceComments
Boeremia exigua (ncbitaxon:749465) - PubMed (31954739)
ChEBI Ontology
Outgoing Relation(s)
Boremexin C (CHEBI:213680) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
methyl (E,2R)-4-(3,9-dihydroxy-8-methoxy-1,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepin-10-yl)-2-hydroxybut-3-enoate