EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:201723 - Azicemicin B

ChEBI IDCHEBI:201723
ChEBI NameAzicemicin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H23NO9
Net Charge0
Average Mass445.424
Monoisotopic Mass445.13728
SMILESCOc1c(O)cc2c(OC)c3c(c(O)c2c1O)C(=O)CC1CC(O)(C2CN2)CC(=O)C31O
InChIInChI=1S/C22H23NO9/c1-31-19-9-4-11(25)20(32-2)18(28)14(9)17(27)15-10(24)3-8-5-21(29,12-7-23-12)6-13(26)22(8,30)16(15)19/h4,8,12,23,25,27-30H,3,5-7H2,1-2H3
InChIKeyUYHQCZYRKRLVIT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsis (ncbitaxon:1813) - PubMed (7490223)
Roles Classification
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
Azicemicin B (CHEBI:201723) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
3-(aziridin-2-yl)-3,7,8,10,12b-pentahydroxy-9,12-dimethoxy-2,4,4a,5-tetrahydrobenzo[a]anthracene-1,6-dione
Manual XrefsDatabases
2333643ChemSpider