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CHEBI:225734 - Allocyclinone C

ChEBI IDCHEBI:225734
ChEBI NameAllocyclinone C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H16Cl2O8
Net Charge0
Average Mass503.290
Monoisotopic Mass502.02222
SMILESCOc1c(Cl)c(CCl)cc2ccc3c(c12)C(=O)c1c(O)c2c(c(O)c1C3=O)[C@@](C)(OC)OC2=O
InChIInChI=1S/C24H16Cl2O8/c1-24(33-3)16-15(23(31)34-24)20(29)14-13(21(16)30)18(27)10-5-4-8-6-9(7-25)17(26)22(32-2)11(8)12(10)19(14)28/h4-6,29-30H,7H2,1-3H3/t24-/m0/s1
InChIKeyHHNCNWIXXAQVNZ-DEOSSOPVSA-N
Species of MetaboliteComponentSourceComments
Actinoallomurusspecies (ncbitaxon:1872127) - PubMed (27220409)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Allocyclinone C (CHEBI:225734) is a angucycline (CHEBI:48130)
IUPAC Name 
16-chloro-17-(chloromethyl)-4,10-dihydroxy-6,15-dimethoxy-6-methyl-7-oxapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1(13),3(11),4,9,14,16,18,20-octaene-2,8,12-trione
Manual XrefsDatabases
78435176ChemSpider