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CHEBI:202938 - 13-oxokibdelone A

ChEBI IDCHEBI:202938
ChEBI Name13-oxokibdelone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H22ClNO10
Net Charge0
Average Mass579.945
Monoisotopic Mass579.09322
SMILESCCCc1c(Cl)c2c(c(=O)n1C)C(=O)c1c(ccc3c(OC)c4oc5c(c(=O)c4c(O)c13)[C@@H](O)[C@@H](O)CC5=O)C2=O
InChIInChI=1S/C29H22ClNO10/c1-4-5-11-20(30)16-17(29(39)31(11)2)23(36)14-9(21(16)34)6-7-10-15(14)24(37)19-25(38)18-22(35)12(32)8-13(33)27(18)41-28(19)26(10)40-3/h6-7,12,22,32,35,37H,4-5,8H2,1-3H3/t12-,22-/m0/s1
InChIKeyJYHTXOUBYOQXGI-YTEVENLXSA-N
Species of MetaboliteComponentSourceComments
Kibdelosporangium (ncbitaxon:2029) - PubMed (17091523)
ChEBI Ontology
Outgoing Relation(s)
13-oxokibdelone A (CHEBI:202938) is a xanthones (CHEBI:51149)
IUPAC Name 
(21S,22R)-8-chloro-21,22,26-trihydroxy-15-methoxy-6-methyl-7-propyl-17-oxa-6-azahexacyclo[12.12.0.02,11.04,9.016,25.018,23]hexacosa-1(14),2(11),4(9),7,12,15,18(23),25-octaene-3,5,10,19,24-pentone
Manual XrefsDatabases
17267085ChemSpider