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CHEBI:213534 - Nocuolin A

ChEBI IDCHEBI:213534
ChEBI NameNocuolin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H30N2O3
Net Charge0
Average Mass298.427
Monoisotopic Mass298.22564
SMILESCCCCCC1=NN(C(=O)CCO)O[C@@H](CCCCC)C1
InChIInChI=1S/C16H30N2O3/c1-3-5-7-9-14-13-15(10-8-6-4-2)21-18(17-14)16(20)11-12-19/h15,19H,3-13H2,1-2H3/t15-/m0/s1
InChIKeyMPGIDXBHXRMMSY-HNNXBMFYSA-N
Species of MetaboliteComponentSourceComments
Nostocspecies CCAP 1453/38 (ncbitaxon:1570104) - PubMed (28253280)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Nocuolin A (CHEBI:213534) is a carboxylic acid (CHEBI:33575)
IUPAC Name 
1-(4,6-dipentyl-5,6-dihydrooxadiazin-2-yl)-3-hydroxypropan-1-one
Manual XrefsDatabases
111054822ChemSpider