EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:202386 - VM54159

ChEBI IDCHEBI:202386
ChEBI NameVM54159
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H35N3O4
Net Charge0
Average Mass477.605
Monoisotopic Mass477.26276
SMILESC[C@H]1CCN2C[C@]34C[C@@]5(C(=O)Nc6c5ccc5c6OC=CC(C)(C)O5)C(C)(C)[C@@H]3C[C@]12C(=O)N4C
InChIInChI=1S/C28H35N3O4/c1-16-9-11-31-15-26-14-27(25(4,5)19(26)13-28(16,31)23(33)30(26)6)17-7-8-18-21(20(17)29-22(27)32)34-12-10-24(2,3)35-18/h7-8,10,12,16,19H,9,11,13-15H2,1-6H3,(H,29,32)/t16-,19-,26+,27+,28+/m0/s1
InChIKeyXNXXZRQPTAQILV-PYGUQFFJSA-N
Species of MetaboliteComponentSourceComments
Nocardiopsis gilva YIM 90087 (ncbitaxon:1235441) - PubMed (2061192)
ChEBI Ontology
Outgoing Relation(s)
VM54159 (CHEBI:202386) is a azaspiro compound (CHEBI:35624)
IUPAC Name 
(1'S,6'S,7'R,8R,9'S)-4,4,6',10',10',13'-hexamethylspiro[10H-[1,4]dioxepino[2,3-g]indole-8,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-9,14'-dione
Manual XrefsDatabases
8074269ChemSpider