CHEBI:209458 - Cytorhizin B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Cytorhizin B
ChEBI ID CHEBI:209458
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H23ClO6
Net Charge 0
Average Mass 418.870
Monoisotopic Mass 418.11832
InChI InChI=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
InChIKey VQZGWGFOMLVNID-IILRZBFSSA-N
SMILES ClC[C@H]1O[C@@]23OC4=C(C(O)=CC=C4)[C@]([C@H]2C)(O)C=5C3=C(OC1(C)C)C(=CC5O)C
Metabolite of Species Details
Cytospora (NCBI:txid117544) See: PubMed
ChEBI Ontology
Outgoing 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