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CHEBI:205011 - Isokibdelone A

ChEBI IDCHEBI:205011
ChEBI NameIsokibdelone A
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SubmitterMetaboLights
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FormulaC29H24ClNO10
Net Charge0
Average Mass581.961
Monoisotopic Mass581.10887
SMILESCCCc1c(Cl)c2c(c(=O)n1C)C(=O)c1c(ccc3c(OC)c(O)c4c(=O)c5c(oc4c13)[C@@H](O)C[C@H](O)[C@@H]5O)C2=O
InChIInChI=1S/C29H24ClNO10/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)28-19(25(38)26(10)40-3)24(37)18-22(35)12(32)8-13(33)27(18)41-28/h6-7,12-13,22,32-33,35,38H,4-5,8H2,1-3H3/t12-,13-,22-/m0/s1
InChIKeyDKKCYFNZVNYTLD-MZFXBISCSA-N
Species of MetaboliteComponentSourceComments
Kibdelosporangiumspecies (ncbitaxon:1871182) - PubMed (17078694)
ChEBI Ontology
Outgoing Relation(s)
Isokibdelone A (CHEBI:205011) is a xanthones (CHEBI:51149)
IUPAC Name 
(5S,7S,8R)-20-chloro-5,7,8,12-tetrahydroxy-13-methoxy-22-methyl-21-propyl-3-oxa-22-azahexacyclo[12.12.0.02,11.04,9.017,26.019,24]hexacosa-1(14),2(11),4(9),12,15,17(26),19(24),20-octaene-10,18,23,25-tetrone
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