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CHEBI:225739 - Allocyclinone D

ChEBI IDCHEBI:225739
ChEBI NameAllocyclinone D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H15Cl3O8
Net Charge0
Average Mass537.735
Monoisotopic Mass535.98325
SMILESCOc1c(Cl)c(C(Cl)Cl)cc2ccc3c(c12)C(=O)c1c(O)c2c(c(O)c1C3=O)[C@@](C)(OC)OC2=O
InChIInChI=1S/C24H15Cl3O8/c1-24(34-3)15-14(23(32)35-24)19(30)13-12(20(15)31)17(28)8-5-4-7-6-9(22(26)27)16(25)21(33-2)10(7)11(8)18(13)29/h4-6,22,30-31H,1-3H3/t24-/m0/s1
InChIKeySWCJMEFTOZERMB-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 D (CHEBI:225739) is a angucycline (CHEBI:48130)
IUPAC Name 
16-chloro-17-(dichloromethyl)-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
78435177ChemSpider