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CHEBI:194575 - 8,9-Dihydro-8-hydroxybarettin

Default Structure
ChEBI IDCHEBI:194575
ChEBI Name8,9-Dihydro-8-hydroxybarettin
Stars
DefinitionAromatic heteropolycyclic compound present in Geodia barretti
Last Modified8 November 2024
Submitterntejera
DownloadsMolfile
FormulaC17H21BrN6O3
Net Charge0
Average Mass437.298
Monoisotopic Mass436.08585
SMILESN=C(N)NCCC[C@@H]1NC(=O)C(C(O)c2cnc3cc(Br)ccc23)NC1=O
InChIInChI=1S/C17H21BrN6O3/c18-8-3-4-9-10(7-22-12(9)6-8)14(25)13-16(27)23-11(15(26)24-13)2-1-5-21-17(19)20/h3-4,6-7,11,13-14,22,25H,1-2,5H2,(H,23,27)(H,24,26)(H4,19,20,21)/t11-,13?,14?/m0/s1
InChIKeyPTZVAKIIQBHEJQ-XGNXJENSSA-N
Species of MetaboliteComponentSourceComments
Geodia Barretti (ncbitaxon:519541) - PubMed (35233042)
ChEBI Ontology
Outgoing Relation(s)
8,9-Dihydro-8-hydroxybarettin (CHEBI:194575) is a organic molecular entity (CHEBI:50860)
Citations