CHEBI:209464 - Cytorhizin C

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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 C
ChEBI ID CHEBI:209464
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H26O7
Net Charge 0
Average Mass 414.454
Monoisotopic Mass 414.16785
InChI InChI=1S/C23H26O7/c1-11-9-14(25)18-19-20(11)30-21(3,4)16(10-27-5)29-23(19)12(2)22(18,26)17-13(24)7-6-8-15(17)28-23/h6-9,12,16,24-26H,10H2,1-5H3/t12-,16-,22+,23+/m1/s1
InChIKey YYCBINHRVTVOMP-OHGMMELBSA-N
SMILES O1C2=C(C=C(O)C3=C2[C@@]4(OC=5C=CC=C(C5[C@@]3(O)[C@H]4C)O)O[C@@H](C1(C)C)COC)C
Metabolite of Species Details
Cytospora (NCBI:txid117544) See: PubMed
ChEBI Ontology
Outgoing Cytorhizin C (CHEBI:209464) is a dibenzooxazepine (CHEBI:53802)
IUPAC Name
(1R,9R,17R,20R)-17-(methoxymethyl)-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