EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:224581 - Asperversiamide P

ChEBI IDCHEBI:224581
ChEBI NameAsperversiamide P
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H31N3O5
Net Charge0
Average Mass465.550
Monoisotopic Mass465.22637
SMILESC=CC(C)(C)[C@]1(CC2NC(=O)C3(O)CCCN3C2=O)C(=O)Nc2cc3c(cc21)C=CC(C)(C)O3
InChIInChI=1S/C26H31N3O5/c1-6-23(2,3)25(14-18-20(30)29-11-7-9-26(29,33)22(32)28-18)16-12-15-8-10-24(4,5)34-19(15)13-17(16)27-21(25)31/h6,8,10,12-13,18,33H,1,7,9,11,14H2,2-5H3,(H,27,31)(H,28,32)/t18?,25-,26?/m0/s1
InChIKeyUKWXCGLNZUXOIN-FHZBLKBXSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (31390200)
ChEBI Ontology
Outgoing Relation(s)
Asperversiamide P (CHEBI:224581) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
3-[[(6S)-2,2-dimethyl-6-(2-methylbut-3-en-2-yl)-7-oxo-8H-pyrano[3,2-]indol-6-yl]methyl]-8a-hydroxy-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione