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CHEBI:224546 - Asperversiamide I

ChEBI IDCHEBI:224546
ChEBI NameAsperversiamide I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H31N3O5
Net Charge0
Average Mass465.550
Monoisotopic Mass465.22637
SMILESC=CC(C)(C)[C@@]12Nc3cc4c(cc3[C@]1(O)C[C@]1(NC(=O)[C@H]3CCCN3C1=O)O2)C=CC(C)(C)O4
InChIInChI=1S/C26H31N3O5/c1-6-22(2,3)26-24(32,14-25(34-26)21(31)29-11-7-8-18(29)20(30)28-25)16-12-15-9-10-23(4,5)33-19(15)13-17(16)27-26/h6,9-10,12-13,18,27,32H,1,7-8,11,14H2,2-5H3,(H,28,30)/t18-,24-,25+,26+/m1/s1
InChIKeyKQSNCKYUOHBTBD-UEEUSRRGSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (31390200)
ChEBI Ontology
Outgoing Relation(s)
Asperversiamide I (CHEBI:224546) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(8'aR,11R,13S,15S)-11-hydroxy-5,5-dimethyl-15-(2-methylbut-3-en-2-yl)spiro[4,14-dioxa-16-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,6,8-tetraene-13,3'-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine]-1',4'-dione
Manual XrefsDatabases
128442198ChemSpider