CHEBI:205787 - Pluraflavin E

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Pluraflavin E
ChEBI ID CHEBI:205787
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H41NO14
Net Charge 0
Average Mass 711.717
Monoisotopic Mass 711.25271
InChI InChI=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
InChIKey ZYXXEVMMVYWSDB-LNAUHDBRSA-N
SMILES O=C1C2=C3OC(=CC(C3=C(C(=O)O)C=C2C(=O)C=4C1=C(O)C(=CC4)[C@@H]5O[C@H]([C@@H](O[C@@H]6O[C@H]([C@@H](O)[C@H](C6)O)C)[C@H](C5)N(C)C)C)=O)C(O)(C(O)C)C
Metabolite of Species Details
Saccharothrix (NCBI:txid2071) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78437303 ChemSpider
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