EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:198939 - Varioxepine A

ChEBI IDCHEBI:198939
ChEBI NameVarioxepine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H29N3O5
Net Charge0
Average Mass463.534
Monoisotopic Mass463.21072
SMILESCC(C)C1=C2N=C3OC=CC=C[C@@]34OC[C@H]3O[C@@]4(OC3(C)C)N2[C@@H](Cc2ccccc2)C(=O)N1
InChIInChI=1S/C26H29N3O5/c1-16(2)20-21-28-23-25(12-8-9-13-31-23)26(33-19(15-32-25)24(3,4)34-26)29(21)18(22(30)27-20)14-17-10-6-5-7-11-17/h5-13,16,18-19H,14-15H2,1-4H3,(H,27,30)/t18-,19+,25+,26-/m0/s1
InChIKeyPZRCCRWGGJKTKC-GZLQHJCCSA-N
Species of MetaboliteComponentSourceComments
Paecilomyces variotii (ncbitaxon:264951) - PubMed (25167167)
ChEBI Ontology
Outgoing Relation(s)
Varioxepine A (CHEBI:198939) has functional parent α-amino acid (CHEBI:33704)
Varioxepine A (CHEBI:198939) is a organonitrogen compound (CHEBI:35352)
Varioxepine A (CHEBI:198939) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,3S,15R,18R)-3-benzyl-19,19-dimethyl-6-propan-2-yl-10,16,20,21-tetraoxa-2,5,8-triazapentacyclo[16.2.1.01,15.02,7.09,15]henicosa-6,8,11,13-tetraen-4-one
Manual XrefsDatabases
34452040ChemSpider