CHEBI:194572 - Geobarrettin B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Geobarrettin B
ChEBI ID CHEBI:194572
Definition Bromoindole alkaloid
Stars This entity has been manually annotated by a third party.
Submitter Noemi Tejera
Supplier Information
Download Molfile XML SDF
Formula C17H17BrN6O2
Net Charge 0
Average Mass 417.267
Monoisotopic Mass 416.05964
InChI InChI=1S/C17H17BrN6O2/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/h2-4,6-8,22H,1,5H2,(H,23,26)(H,24,25)(H4,19,20,21)/b12-2+,14-6-
InChIKey RMNJZDMKZZZDEF-DUVBNZFFSA-N
SMILES C1=C(C=C2C(=C1)C(=CN2)/C=C/3\NC(/C(/NC3=O)=C\CCNC(N)=N)=O)Br
Metabolite of Species Details
Geodia barretti See: PubMed
ChEBI Ontology
Outgoing Geobarrettin B (CHEBI:194572) is a organic molecular entity (CHEBI:50860)
Citations Waiting for Citations Types Sources
30413031 PubMed citation SUBMITTER
35233042 PubMed citation SUBMITTER