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CHEBI:209451 - Cytorhizin A

ChEBI IDCHEBI:209451
ChEBI NameCytorhizin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24O7
Net Charge0
Average Mass400.427
Monoisotopic Mass400.15220
SMILESCc1cc(O)c2c3c1OC(C)(C)[C@H](O)CO[C@]31Oc3cccc(O)c3[C@@]2(O)[C@H]1C
InChIInChI=1S/C22H24O7/c1-10-8-13(24)17-18-19(10)29-20(3,4)15(25)9-27-22(18)11(2)21(17,26)16-12(23)6-5-7-14(16)28-22/h5-8,11,15,23-26H,9H2,1-4H3/t11-,15-,21+,22-/m1/s1
InChIKeyKSGNIQUGUIWFEO-DWPMVPKGSA-N
Species of MetaboliteComponentSourceComments
Cytospora (ncbitaxon:117544) - PubMed (30726094)
ChEBI Ontology
Outgoing Relation(s)
Cytorhizin A (CHEBI:209451) is a dibenzooxazepine (CHEBI:53802)
IUPAC Name 
(1R,4R,12R,21R)-5,5,8,21-tetramethyl-2,6,19-trioxapentacyclo[9.8.1.11,12.07,20.013,18]henicosa-7(20),8,10,13,15,17-hexaene-4,10,12,14-tetrol