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CHEBI:222129 - Actinoplanone B

ChEBI IDCHEBI:222129
ChEBI NameActinoplanone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H24ClNO10
Net Charge0
Average Mass569.950
Monoisotopic Mass569.10887
SMILESCO[C@@H]1C[C@H](O)[C@@H](OC)c2oc3c4c5c(c(O)c3c(=O)c21)-c1c(cc2c(Cl)c(C)nc(=O)c2c1O)C[C@@H]5OCO4
InChIInChI=1S/C28H24ClNO10/c1-8-20(29)10-4-9-5-13-16-18(14(9)21(32)15(10)28(35)30-8)23(34)19-22(33)17-12(36-2)6-11(31)24(37-3)26(17)40-27(19)25(16)39-7-38-13/h4,11-13,24,31-32,34H,5-7H2,1-3H3,(H,30,35)/t11-,12+,13-,24+/m0/s1
InChIKeySVHJSMAYFCQFKH-KLZBHDGLSA-N
Species of MetaboliteComponentSourceComments
Actinoplanes (ncbitaxon:1865) - PubMed (3372357)
ChEBI Ontology
Outgoing Relation(s)
Actinoplanone B (CHEBI:222129) is a xanthones (CHEBI:51149)
IUPAC Name 
(13S,21R,22S,24R)-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
78442981ChemSpider