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CHEBI:223718 - Rubradirin B

ChEBI IDCHEBI:223718
ChEBI NameRubradirin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H33N3O15
Net Charge0
Average Mass795.710
Monoisotopic Mass795.19117
SMILESCOc1ccc2c(O)c(NC(=O)c3ccc(O)c(C(=O)O[C@H]4[C@@H](C)/C=C(\C)C(=O)c5c(O)c(C)cc6c5C(=O)C5=C(NC[C@](C)(O5)C(=O)[C@@H]4O)C6=O)n3)c(=O)oc2c1
InChIInChI=1S/C40H33N3O15/c1-14-10-16(3)34(33(50)36(51)40(4)13-41-26-31(48)19-11-15(2)29(46)24(28(14)45)23(19)32(49)35(26)58-40)57-38(53)25-21(44)9-8-20(42-25)37(52)43-27-30(47)18-7-6-17(55-5)12-22(18)56-39(27)54/h6-12,16,33-34,41,44,46-47,50H,13H2,1-5H3,(H,43,52)/b14-10+/t16-,33+,34-,40-/m0/s1
InChIKeyZSKMTRIUAGAHRS-VKSKXNLGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (711617)
ChEBI Ontology
Outgoing Relation(s)
Rubradirin B (CHEBI:223718) is a hydroxycoumarin (CHEBI:37912)
IUPAC Name 
[(10E,12S,13S,14R,16S)-7,14-dihydroxy-6,10,12,16-tetramethyl-2,9,15,21-tetraoxo-20-oxa-18-azatetracyclo[14.3.1.14,19.03,8]henicosa-1(19),3,5,7,10-pentaen-13-yl] 3-hydroxy-6-[(4-hydroxy-7-methoxy-2-oxochromen-3-yl)carbamoyl]pyridine-2-carboxylate
Manual XrefsDatabases
78443124ChemSpider