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CHEBI:225727 - Allocyclinone B

ChEBI IDCHEBI:225727
ChEBI NameAllocyclinone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H17ClO8
Net Charge0
Average Mass468.845
Monoisotopic Mass468.06120
SMILESCOc1c(Cl)c(C)cc2ccc3c(c12)C(=O)c1c(O)c2c(c(O)c1C3=O)[C@@](C)(OC)OC2=O
InChIInChI=1S/C24H17ClO8/c1-8-7-9-5-6-10-12(11(9)22(31-3)17(8)25)19(27)14-13(18(10)26)21(29)16-15(20(14)28)23(30)33-24(16,2)32-4/h5-7,28-29H,1-4H3/t24-/m0/s1
InChIKeyYGQKBWQSVIZGFS-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 B (CHEBI:225727) is a angucycline (CHEBI:48130)
IUPAC Name 
16-chloro-4,10-dihydroxy-6,15-dimethoxy-6,17-dimethyl-7-oxapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1(13),3(11),4,9,14(19),15,17,20-octaene-2,8,12-trione
Manual XrefsDatabases
78435175ChemSpider