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CHEBI:209458 - Cytorhizin B

ChEBI IDCHEBI:209458
ChEBI NameCytorhizin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H23ClO6
Net Charge0
Average Mass418.873
Monoisotopic Mass418.11832
SMILESCc1cc(O)c2c3c1OC(C)(C)[C@@H](CCl)O[C@]31Oc3cccc(O)c3[C@@]2(O)[C@H]1C
InChIInChI=1S/C22H23ClO6/c1-10-8-13(25)17-18-19(10)29-20(3,4)15(9-23)28-22(18)11(2)21(17,26)16-12(24)6-5-7-14(16)27-22/h5-8,11,15,24-26H,9H2,1-4H3/t11-,15-,21+,22+/m1/s1
InChIKeyVQZGWGFOMLVNID-IILRZBFSSA-N
Species of MetaboliteComponentSourceComments
Cytospora (ncbitaxon:117544) - PubMed (30726094)
ChEBI Ontology
Outgoing Relation(s)
Cytorhizin B (CHEBI:209458) is a dibenzooxazepine (CHEBI:53802)
IUPAC Name 
(1R,9R,17S,20R)-17-(chloromethyl)-13,16,16,20-tetramethyl-2,15,18-trioxapentacyclo[8.8.1.11,9.03,8.014,19]icosa-3,5,7,10,12,14(19)-hexaene-7,9,11-triol