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CHEBI:213547 - Neosartin B

ChEBI IDCHEBI:213547
ChEBI NameNeosartin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H14N2O4
Net Charge0
Average Mass274.276
Monoisotopic Mass274.09536
SMILESCO[C@@]1(CO)C(=O)n2c(cc3ccccc32)C(=O)N1C
InChIInChI=1S/C14H14N2O4/c1-15-12(18)11-7-9-5-3-4-6-10(9)16(11)13(19)14(15,8-17)20-2/h3-7,17H,8H2,1-2H3/t14-/m0/s1
InChIKeyDFCDASXHYAJPIW-AWEZNQCLSA-N
Species of MetaboliteComponentSourceComments
Aspergillus thermomutatus (ncbitaxon:41047) - PubMed (25421322)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Neosartin B (CHEBI:213547) is a indolyl carboxylic acid (CHEBI:46867)
IUPAC Name 
3-(hydroxymethyl)-3-methoxy-2-methylpyrazino[1,2-a]indole-1,4-dione
Manual XrefsDatabases
34981183ChemSpider