EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:222490 - Elloramycin C

ChEBI IDCHEBI:222490
ChEBI NameElloramycin C
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](O)[C@@H]2OC)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)46-29-24(42-5)22(34)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-/m0/s1
InChIKeyBYTSARCYBCNUGR-UNMOYDGPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces olivaceus (ncbitaxon:47716) - PubMed (3755429)
ChEBI Ontology
Outgoing Relation(s)
Elloramycin C (CHEBI:222490) is a quinone (CHEBI:36141)
Elloramycin C (CHEBI:222490) is a tetracenes (CHEBI:51270)
IUPAC Name 
methyl (6aS,7R,10aS)-6a,7,12-trihydroxy-3-[(2S,3S,4R,5R,6S)-4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-8,10a-dimethoxy-1-methyl-6,10,11-trioxo-7H-tetracene-2-carboxylate
Manual XrefsDatabases
78443017ChemSpider