CHEBI:202566 - JBIR-13

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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 JBIR-13
ChEBI ID CHEBI:202566
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H51NO13
Net Charge 0
Average Mass 693.787
Monoisotopic Mass 693.33604
InChI InChI=1S/C35H51NO13/c1-3-11-22-12-9-7-5-4-6-8-10-13-23(47-34-32(41)31(40)30(36)20(2)45-34)17-27-29(33(42)43)24(38)19-35(44,49-27)18-21(37)16-26-25(48-26)14-15-28(39)46-22/h4-10,13-15,20-27,29-32,34,37-38,40-41,44H,3,11-12,16-19,36H2,1-2H3,(H,42,43)/b5-4-,8-6-,9-7-,13-10-,15-14-
InChIKey AJJXKYBIKLKLDF-RATFMTGRSA-N
SMILES O=C1OC(CC=CC=CC=CC=CC(OC2OC(C(N)C(C2O)O)C)CC3OC(CC(CC4C(C=C1)O4)O)(O)CC(O)C3C(=O)O)CCC
Metabolite of Species Details
Streptomyces bicolor (NCBI:txid66874) See: PubMed
ChEBI Ontology
Outgoing JBIR-13 (CHEBI:202566) is a aminoglycoside (CHEBI:47779)
IUPAC Name
(8Z,14Z,16Z,18Z,20Z)-22-(5-amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy-1,3,26-trihydroxy-10-oxo-12-propyl-6,11,28-trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid
Manual Xref Database
78444718 ChemSpider
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