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CHEBI:222135 - Actinoplanone A

ChEBI IDCHEBI:222135
ChEBI NameActinoplanone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H25ClN2O10
Net Charge0
Average Mass584.965
Monoisotopic Mass584.11977
SMILESCO[C@@H]1C[C@@H](O)[C@@H](OC)c2oc3c4c5c(c(O)c3c(=O)c21)-c1c(cc2c(Cl)c(C)n(N)c(=O)c2c1O)C[C@H]5OCO4
InChIInChI=1S/C28H25ClN2O10/c1-8-20(29)10-4-9-5-13-16-18(14(9)21(33)15(10)28(36)31(8)30)23(35)19-22(34)17-12(37-2)6-11(32)24(38-3)26(17)41-27(19)25(16)40-7-39-13/h4,11-13,24,32-33,35H,5-7,30H2,1-3H3/t11-,12-,13-,24-/m1/s1
InChIKeyRMBAWLJPGJDEJW-RBHLGUSVSA-N
Species of MetaboliteComponentSourceComments
Actinoplanes (ncbitaxon:1865) - PubMed (3372357)
ChEBI Ontology
Outgoing Relation(s)
Actinoplanone A (CHEBI:222135) is a xanthones (CHEBI:51149)
IUPAC Name 
(13R,21R,22R,24R)-6-amino-8-chloro-3,22,28-trihydroxy-21,24-dimethoxy-7-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.02,11.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4(9),7,10,17,20(25),27-octaene-5,26-dione
Manual XrefsDatabases
78442982ChemSpider