EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:207805 - Urdamycin X

ChEBI IDCHEBI:207805
ChEBI NameUrdamycin X
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H18O8
Net Charge0
Average Mass374.345
Monoisotopic Mass374.10017
SMILESC[C@]1(O)CC(=O)O[C@]2(O)C3=C(CC[C@]2(O)C1)C(=O)c1c(O)cccc1C3=O
InChIInChI=1S/C19H18O8/c1-17(24)7-12(21)27-19(26)14-10(5-6-18(19,25)8-17)15(22)13-9(16(14)23)3-2-4-11(13)20/h2-4,20,24-26H,5-8H2,1H3/t17-,18-,19+/m0/s1
InChIKeyLMFCHEYYLAZODS-GBESFXJTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (17434221)
ChEBI Ontology
Outgoing Relation(s)
Urdamycin X (CHEBI:207805) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
(4R,5aS,13bR)-4,5a,9,13b-tetrahydroxy-4-methyl-3,5,6,7-tetrahydronaphtho[3,2-i][1]benzoxepine-2,8,13-trione
Manual XrefsDatabases
78437898ChemSpider