EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216649 - JBIR-93

ChEBI IDCHEBI:216649
ChEBI NameJBIR-93
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H56N2O15
Net Charge0
Average Mass912.986
Monoisotopic Mass912.36807
SMILESCC1CC(=O)C2(O)c3c(c(O)c4c(O)c([C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)cc5c(=C6C=Nc7ccccc76)c(=O)oc3c45)C=CC2(O[C@@H]2C[C@@H](N(C)C)[C@@H](O[C@@H]3C[C@@H](O)[C@@H](O)[C@@H](C)O3)[C@@H](C)O2)C1
InChIInChI=1S/C49H56N2O15/c1-20-13-34(54)49(60)40-25(11-12-48(49,18-20)66-36-15-30(51(5)6)45(23(4)63-36)64-35-17-32(53)42(56)22(3)62-35)43(57)39-38-27(14-26(44(39)58)33-16-31(52)41(55)21(2)61-33)37(47(59)65-46(38)40)28-19-50-29-10-8-7-9-24(28)29/h7-12,14,19-23,30-33,35-36,41-42,45,52-53,55-58,60H,13,15-18H2,1-6H3/t20?,21-,22-,23-,30-,31-,32-,33-,35-,36-,41-,42+,45+,48?,49?/m1/s1
InChIKeyPMAJQFGAPNPBIB-HPTPKALHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (21326253)
ChEBI Ontology
Outgoing Relation(s)
JBIR-93 (CHEBI:216649) 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-3,12,14-trihydroxy-18-indol-3-ylidene-6-methyl-20-oxapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(21),2(11),9,12,14,16-hexaene-4,19-dione
Manual XrefsDatabases
78445634ChemSpider