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CHEBI:222485 - Elloramycin D

ChEBI IDCHEBI:222485
ChEBI NameElloramycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H34O15
Net Charge0
Average Mass646.598
Monoisotopic Mass646.18977
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(OC)C(=O)C=C(OC)[C@@H](O)[C@]1(O)C3=O
InChIInChI=1S/C31H34O15/c1-11-18-13(9-15(19(11)28(38)43-6)46-29-22(34)24(42-5)23(41-4)12(2)45-29)8-14-20(21(18)33)27(37)31(44-7)17(32)10-16(40-3)26(36)30(31,39)25(14)35/h8-10,12,22-24,26,29,33-34,36,39H,1-7H3/t12-,22-,23+,24-,26-,29+,30-,31-/m1/s1
InChIKeyATXJXGVGALFDOB-HDXMXOGZSA-N
Species of MetaboliteComponentSourceComments
Streptomyces olivaceus (ncbitaxon:47716) - PubMed (3755429)
ChEBI Ontology
Outgoing Relation(s)
Elloramycin D (CHEBI:222485) is a quinone (CHEBI:36141)
Elloramycin D (CHEBI:222485) is a tetracenes (CHEBI:51270)
IUPAC Name 
methyl (6aR,7S,10aR)-6a,7,12-trihydroxy-3-[(2S,3R,4R,5S,6R)-3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl]oxy-8,10a-dimethoxy-1-methyl-6,10,11-trioxo-7H-tetracene-2-carboxylate
Manual XrefsDatabases
78443016ChemSpider