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CHEBI:220716 - Stieleriacine E

ChEBI IDCHEBI:220716
ChEBI NameStieleriacine E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H45NO4
Net Charge0
Average Mass459.671
Monoisotopic Mass459.33486
SMILESCCCCCCCCCCCCCCCCCC(=O)N/C(=C\c1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C28H45NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(30)29-26(28(31)32)23-24-19-21-25(33-2)22-20-24/h19-23H,3-18H2,1-2H3,(H,29,30)(H,31,32)/b26-23-
InChIKeyKAHDAULQQJUDPU-RWEWTDSWSA-N
Species of MetaboliteComponentSourceComments
Stieleria (ncbitaxon:2795973) - PubMed (32765432)
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 E (CHEBI:220716) is a N-acyl-amino acid (CHEBI:51569)