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

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ChEBI Name 8,9-Dihydro-8-hydroxybarettin
ChEBI ID CHEBI:194575
Definition Aromatic heteropolycyclic compound present in Geodia barretti
Stars This entity has been manually annotated by a third party.
Submitter Noemi Tejera
Supplier Information
Download Molfile XML SDF
Formula C17H21BrN6O3
Net Charge 0
Average Mass 437.298
Monoisotopic Mass 436.08585
InChI InChI=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
InChIKey PTZVAKIIQBHEJQ-XGNXJENSSA-N
SMILES BrC1=CC=2NC=C(C(C3NC(=O)[C@@H](NC3=O)CCCNC(=N)N)O)C2C=C1
Metabolite of Species Details
Geodia Barretti See: PubMed
ChEBI Ontology
Outgoing 8,9-Dihydro-8-hydroxybarettin (CHEBI:194575) is a organic molecular entity (CHEBI:50860)
Citation Waiting for Citations Type Source
35233042 PubMed citation SUBMITTER