EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:227887 - Celastramycin B

Default Structure
ChEBI IDCHEBI:227887
ChEBI NameCelastramycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H13ClO6
Net Charge0
Average Mass372.760
Monoisotopic Mass372.04007
SMILESC[C@H]1CC(=O)c2c(cc3c(c2O)C(=O)c2ccc(Cl)c(O)c2C3=O)[C@H]1O
InChIInChI=1S/C19H13ClO6/c1-6-4-11(21)12-8(15(6)22)5-9-14(19(12)26)16(23)7-2-3-10(20)18(25)13(7)17(9)24/h2-3,5-6,15,22,25-26H,4H2,1H3/t6-,15-/m0/s1
InChIKeyVYZRGVNZHYVQDP-XHLQUELWSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (12430026)
ChEBI Ontology
Outgoing Relation(s)
Celastramycin B (CHEBI:227887) is a quinone (CHEBI:36141)
Celastramycin B (CHEBI:227887) is a tetracenes (CHEBI:51270)
IUPAC Name 
(3S,4S)-8-chloro-4,7,12-trihydroxy-3-methyl-3,4-dihydro-2H-tetracene-1,6,11-trione
Manual XrefsDatabases
78438384ChemSpider