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CHEBI:225723 - Allocyclinone A

ChEBI IDCHEBI:225723
ChEBI NameAllocyclinone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H14Cl4O8
Net Charge0
Average Mass572.180
Monoisotopic Mass569.94428
SMILESCOc1c(Cl)c(C(Cl)(Cl)Cl)cc2ccc3c(c12)C(=O)c1c(O)c2c(c(O)c1C3=O)[C@@](C)(OC)OC2=O
InChIInChI=1S/C24H14Cl4O8/c1-23(35-3)15-14(22(33)36-23)19(31)13-12(20(15)32)17(29)8-5-4-7-6-9(24(26,27)28)16(25)21(34-2)10(7)11(8)18(13)30/h4-6,31-32H,1-3H3/t23-/m0/s1
InChIKeyPNZJZIIJLGYVCU-QHCPKHFHSA-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 A (CHEBI:225723) is a angucycline (CHEBI:48130)
IUPAC Name 
16-chloro-4,10-dihydroxy-6,15-dimethoxy-6-methyl-17-(trichloromethyl)-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
78435174ChemSpider