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CHEBI:202266 - Pluraflavin A

ChEBI IDCHEBI:202266
ChEBI NamePluraflavin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC43H54N2O14
Net Charge0
Average Mass822.905
Monoisotopic Mass822.35750
SMILESCC1OC(OCc2cc3c(c4oc(C5(C)OC5C)cc(=O)c24)C(=O)c2c(ccc([C@H]4C[C@H](N(C)C)[C@H](O[C@H]5C[C@H](O)[C@H](O)[C@H](C)O5)[C@H](C)O4)c2O)C3=O)CC(C)(N)C1O
InChIInChI=1S/C43H54N2O14/c1-17-35(48)27(47)14-30(55-17)58-39-18(2)54-28(12-25(39)45(7)8)22-9-10-23-33(37(22)50)38(51)34-24(36(23)49)11-21(16-53-31-15-42(5,44)41(52)19(3)56-31)32-26(46)13-29(57-40(32)34)43(6)20(4)59-43/h9-11,13,17-20,25,27-28,30-31,35,39,41,47-48,50,52H,12,14-16,44H2,1-8H3/t17-,18-,19?,20?,25-,27-,28+,30-,31?,35+,39+,41?,42?,43?/m0/s1
InChIKeyOHQJVUUBNSMDMH-IXTMJGLFSA-N
Species of MetaboliteComponentSourceComments
Saccharothrix (ncbitaxon:2071) - PubMed (11714228)
ChEBI Ontology
Outgoing Relation(s)
Pluraflavin A (CHEBI:202266) is a benzochromenone (CHEBI:64986)
Pluraflavin A (CHEBI:202266) is a glycoside (CHEBI:24400)
IUPAC Name 
5-[(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxymethyl]-10-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]-2-(2,3-dimethyloxiran-2-yl)-11-hydroxynaphtho[2,3-h]chromene-4,7,12-trione
Manual XrefsDatabases
78445092ChemSpider