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CHEBI:201153 - Actinosporin A

ChEBI IDCHEBI:201153
ChEBI NameActinosporin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H32O13
Net Charge0
Average Mass612.584
Monoisotopic Mass612.18429
SMILESCc1cc(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)c2c3c(c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc2c1)C(=O)c1c(O)cccc1C3=O
InChIInChI=1S/C31H32O13/c1-10-7-13-9-17(44-31-29(40)27(38)23(34)12(3)42-31)20-21(24(35)14-5-4-6-15(32)19(14)25(20)36)18(13)16(8-10)43-30-28(39)26(37)22(33)11(2)41-30/h4-9,11-12,22-23,26-34,37-40H,1-3H3/t11-,12-,22-,23-,26+,27+,28+,29+,30-,31-/m0/s1
InChIKeyOZKCRADDDAPORM-IKSNLRTHSA-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 A (CHEBI:201153) is a angucycline (CHEBI:48130)
IUPAC Name 
8-hydroxy-3-methyl-1,6-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]benzo[a]anthracene-7,12-dione
Manual XrefsDatabases
58116427ChemSpider