EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:223153 - JBIR-92

ChEBI IDCHEBI:223153
ChEBI NameJBIR-92
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H55NO16
Net Charge0
Average Mass889.948
Monoisotopic Mass889.35208
SMILESCC1CC(=O)C2(O)C3=C(C=CC2(O[C@@H]2C[C@@H](N(C)C)[C@@H](O[C@@H]4C[C@@H](O)[C@@H](O)[C@@H](C)O4)[C@@H](C)O2)C1)C(=O)c1c(O)c([C@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)cc2c(-c4ccc(O)cc4)c(=O)oc3c12
InChIInChI=1S/C47H55NO16/c1-19-13-32(52)47(58)38-25(11-12-46(47,18-19)64-34-15-28(48(5)6)43(22(4)61-34)62-33-17-30(51)40(54)21(3)60-33)41(55)37-36-27(14-26(42(37)56)31-16-29(50)39(53)20(2)59-31)35(45(57)63-44(36)38)23-7-9-24(49)10-8-23/h7-12,14,19-22,28-31,33-34,39-40,43,49-51,53-54,56,58H,13,15-18H2,1-6H3/t19?,20-,21-,22-,28-,29-,30-,31-,33-,34-,39-,40+,43+,46?,47?/m1/s1
InChIKeyUQUWTRHBIDIQNA-ABGHLAJSSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (21326253)
ChEBI Ontology
Outgoing Relation(s)
JBIR-92 (CHEBI:223153) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
15-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-8-[(2R,4R,5R,6R)-5-[(2R,4R,5R,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-3,14-dihydroxy-18-(4-hydroxyphenyl)-6-methyl-20-oxapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(21),2(11),9,13,15,17-hexaene-4,12,19-trione
Manual XrefsDatabases
78445639ChemSpider