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CHEBI:217769 - JBIR-91

ChEBI IDCHEBI:217769
ChEBI NameJBIR-91
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H51NO14
Net Charge0
Average Mass757.830
Monoisotopic Mass757.33096
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(ccc([C@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)c1O)C3=O
InChIInChI=1S/C39H51NO14/c1-16-11-27(43)39(49)31-22(35(47)30-21(36(31)48)8-7-20(34(30)46)26-13-24(41)32(44)17(2)50-26)9-10-38(39,15-16)54-29-12-23(40(5)6)37(19(4)52-29)53-28-14-25(42)33(45)18(3)51-28/h7-10,16-19,23-26,28-29,32-33,37,41-42,44-46,49H,11-15H2,1-6H3/t16?,17-,18-,19-,23-,24-,25-,26-,28-,29-,32-,33+,37+,38?,39?/m1/s1
InChIKeyOQFYDADTTCKOPC-WEIQQEEISA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (21326253)
ChEBI Ontology
Outgoing Relation(s)
JBIR-91 (CHEBI:217769) is a anthraquinone (CHEBI:22580)
JBIR-91 (CHEBI:217769) is a glycoside (CHEBI:24400)
IUPAC Name 
9-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-4a-[(2R,4R,5R,6R)-5-[(2R,4R,5R,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-8,12b-dihydroxy-3-methyl-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione
Manual XrefsDatabases
78445638ChemSpider