EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:213641 - Urdamycin N7

ChEBI IDCHEBI:213641
ChEBI NameUrdamycin N7
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H28O9
Net Charge0
Average Mass496.512
Monoisotopic Mass496.17333
SMILESCO[C@@H]1C2=C(C(=O)c3ccc([C@H]4C[C@@H](O)[C@H](O)[C@@H](C)O4)c(O)c3C2=O)c2c(O)cc(C)cc2[C@H]1OC
InChIInChI=1S/C27H28O9/c1-10-7-14-18(15(28)8-10)20-21(27(35-4)26(14)34-3)25(33)19-13(24(20)32)6-5-12(23(19)31)17-9-16(29)22(30)11(2)36-17/h5-8,11,16-17,22,26-31H,9H2,1-4H3/t11-,16-,17-,22-,26-,27-/m1/s1
InChIKeyQXVJOSLNSWQRDN-KCZNGTKTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (29843358)
ChEBI Ontology
Outgoing Relation(s)
Urdamycin N7 (CHEBI:213641) is a anthraquinone (CHEBI:22580)
IUPAC Name 
(5R,6R)-9-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-1,8-dihydroxy-5,6-dimethoxy-3-methyl-5,6-dihydrobenzo[a]anthracene-7,12-dione
Manual XrefsDatabases
71044334ChemSpider