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CHEBI:205787 - Pluraflavin E

ChEBI IDCHEBI:205787
ChEBI NamePluraflavin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H41NO14
Net Charge0
Average Mass711.717
Monoisotopic Mass711.25270
SMILESCC(O)C(C)(O)c1cc(=O)c2c(C(=O)O)cc3c(c2o1)C(=O)c1c(ccc([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)c1O)C3=O
InChIInChI=1S/C36H41NO14/c1-13-29(41)22(40)12-25(49-13)51-33-14(2)48-23(10-20(33)37(5)6)16-7-8-17-27(31(16)43)32(44)28-18(30(17)42)9-19(35(45)46)26-21(39)11-24(50-34(26)28)36(4,47)15(3)38/h7-9,11,13-15,20,22-23,25,29,33,38,40-41,43,47H,10,12H2,1-6H3,(H,45,46)/t13-,14-,15?,20-,22-,23+,25-,29+,33+,36?/m0/s1
InChIKeyZYXXEVMMVYWSDB-LNAUHDBRSA-N
Species of MetaboliteComponentSourceComments
Saccharothrix (ncbitaxon:2071) - PubMed (11714228)
ChEBI Ontology
Outgoing Relation(s)
Pluraflavin E (CHEBI:205787) is a benzochromenone (CHEBI:64986)
Pluraflavin E (CHEBI:205787) is a glycoside (CHEBI:24400)
IUPAC Name 
2-(2,3-dihydroxybutan-2-yl)-10-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]-11-hydroxy-4,7,12-trioxonaphtho[2,3-h]chromene-5-carboxylic acid
Manual XrefsDatabases
78437303ChemSpider