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CHEBI:188718 - (E)-Methyl 3-(1H-naphtho[1,8-de][1,3,2]diazaborinin-2(3H)-yl)acrylate

ChEBI IDCHEBI:188718
ChEBI Name(E)-Methyl 3-(1H-naphtho[1,8-de][1,3,2]diazaborinin-2(3H)-yl)acrylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H13BN2O2
Net Charge0
Average Mass252.082
Monoisotopic Mass252.10701
SMILESCOC(=O)/C=C/B1Nc2cccc3cccc(c23)N1
InChIInChI=1S/C14H13BN2O2/c1-19-13(18)8-9-15-16-11-6-2-4-10-5-3-7-12(17-15)14(10)11/h2-9,16-17H,1H3/b9-8+
InChIKeyJXSTUGKQHAKCLR-CMDGGOBGSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
(E)-Methyl 3-(1H-naphtho[1,8-de][1,3,2]diazaborinin-2(3H)-yl)acrylate (CHEBI:188718) is a naphthalenes (CHEBI:25477)
IUPAC Name 
methyl (E)-3-(2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yl)prop-2-enoate
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26285861ChemSpider