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CHEBI:195169 - 8,9-dihydrobarettin

Default Structure
ChEBI IDCHEBI:195169
ChEBI Name8,9-dihydrobarettin
Stars
Definitiondiketopiperazine Trp-Arg present in the deep-sea sponge Geodia barretti
Submitterntejera
DownloadsMolfile
FormulaC17H21BrN6O2
Net Charge0
Average Mass421.299
Monoisotopic Mass420.09094
SMILESNC(N)=NCCC[C@H]1NC(=O)C(Cc2cnc3cc(Br)ccc23)NC1=O
InChIInChI=1S/C17H21BrN6O2/c18-10-3-4-11-9(8-22-13(11)7-10)6-14-16(26)23-12(15(25)24-14)2-1-5-21-17(19)20/h3-4,7-8,12,14,22H,1-2,5-6H2,(H,23,26)(H,24,25)(H4,19,20,21)/t12-,14?/m1/s1
InChIKeyHVWYYWIRLPBRTO-PUODRLBUSA-N
Species of MetaboliteComponentSourceComments
Geodia barretti- PubMed (35233042)
ChEBI Ontology
Outgoing Relation(s)
8,9-dihydrobarettin (CHEBI:195169) is a organic molecular entity (CHEBI:50860)
Citations