CHEBI:195169 - 8,9-dihydrobarettin

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ChEBI Name 8,9-dihydrobarettin
ChEBI ID CHEBI:195169
Definition diketopiperazine Trp-Arg present in the deep-sea sponge Geodia barretti
Stars This entity has been manually annotated by a third party.
Submitter Noemi Tejera
Supplier Information
Download Molfile XML SDF
Formula C17H21BrN6O2
Net Charge 0
Average Mass 421.299
Monoisotopic Mass 420.09094
InChI InChI=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
InChIKey HVWYYWIRLPBRTO-PUODRLBUSA-N
SMILES BrC1=CC=2NC=C(CC3NC(=O)[C@H](NC3=O)CCCN=C(N)N)C2C=C1
Metabolite of Species Details
Geodia barretti See: PubMed
ChEBI Ontology
Outgoing 8,9-dihydrobarettin (CHEBI:195169) is a organic molecular entity (CHEBI:50860)
Citation Waiting for Citations Type Source
35233042 PubMed citation SUBMITTER