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CHEBI:222496 - Elloramycin B

ChEBI IDCHEBI:222496
ChEBI NameElloramycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H32O15
Net Charge0
Average Mass632.571
Monoisotopic Mass632.17412
SMILESCOC(=O)c1c(O[C@@H]2O[C@H](C)[C@H](OC)[C@H](OC)[C@H]2O)cc2cc3c(c(O)c2c1C)C(=O)[C@]1(O)C(=O)C=C(OC)[C@H](O)[C@@]1(O)C3=O
InChIInChI=1S/C30H32O15/c1-10-17-12(8-14(18(10)27(37)43-6)45-28-21(33)23(42-5)22(41-4)11(2)44-28)7-13-19(20(17)32)26(36)29(38)16(31)9-15(40-3)25(35)30(29,39)24(13)34/h7-9,11,21-23,25,28,32-33,35,38-39H,1-6H3/t11-,21-,22+,23-,25+,28+,29-,30+/m1/s1
InChIKeyVHGYYGLXAJDRCY-GGUBEPLUSA-N
Species of MetaboliteComponentSourceComments
Streptomyces olivaceus (ncbitaxon:47716) - PubMed (3755429)
ChEBI Ontology
Outgoing Relation(s)
Elloramycin B (CHEBI:222496) is a quinone (CHEBI:36141)
Elloramycin B (CHEBI:222496) is a tetracenes (CHEBI:51270)
IUPAC Name 
methyl (6aS,7R,10aR)-6a,7,10a,12-tetrahydroxy-3-[(2S,3R,4R,5S,6R)-3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl]oxy-8-methoxy-1-methyl-6,10,11-trioxo-7H-tetracene-2-carboxylate
Manual XrefsDatabases
78443018ChemSpider