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CHEBI:221439 - Stieleriacine B2

ChEBI IDCHEBI:221439
ChEBI NameStieleriacine B2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H33NO4
Net Charge0
Average Mass375.509
Monoisotopic Mass375.24096
SMILESCCCCCCCCCCCC(=O)N/C(=C/c1ccc(O)c(C)c1)C(=O)O
InChIInChI=1S/C22H33NO4/c1-3-4-5-6-7-8-9-10-11-12-21(25)23-19(22(26)27)16-18-13-14-20(24)17(2)15-18/h13-16,24H,3-12H2,1-2H3,(H,23,25)(H,26,27)/b19-16+
InChIKeyWJODOJHXITXKOU-KNTRCKAVSA-N
Species of MetaboliteComponentSourceComments
Stieleria (ncbitaxon:2795973) - PubMed (32533057)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Stieleriacine B2 (CHEBI:221439) is a N-acyl-amino acid (CHEBI:51569)