EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:222756 - Actinosporin B

ChEBI IDCHEBI:222756
ChEBI NameActinosporin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H26O11
Net Charge0
Average Mass502.472
Monoisotopic Mass502.14751
SMILESC[C@@H]1O[C@@H](Oc2cccc3c2C(=O)c2ccc4c(c2C3=O)C(O)C(O)C(O)(CO)C4)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C25H26O11/c1-9-17(27)21(31)22(32)24(35-9)36-13-4-2-3-11-15(13)18(28)12-6-5-10-7-25(34,8-26)23(33)20(30)14(10)16(12)19(11)29/h2-6,9,17,20-24,26-27,30-34H,7-8H2,1H3/t9-,17-,20?,21+,22+,23?,24-,25?/m0/s1
InChIKeyKKUPFEHKCATSSO-YQNAEIKZSA-N
Species of MetaboliteComponentSourceComments
Actinokineosporaspecieseciospongiae (ncbitaxon:909613) - PubMed (24663112)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Actinosporin B (CHEBI:222756) is a angucycline (CHEBI:48130)
IUPAC Name 
1,2,3-trihydroxy-3-(hydroxymethyl)-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,4-dihydro-1H-benzo[a]anthracene-7,12-dione
Manual XrefsDatabases
32674784ChemSpider