EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:224571 - Asperversiamide N

ChEBI IDCHEBI:224571
ChEBI NameAsperversiamide N
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H33N3O5
Net Charge0
Average Mass479.577
Monoisotopic Mass479.24202
SMILESC=CC(C)(C)[C@]1(C[C@]2(OC)NC(=O)[C@@H]3CCCN3C2=O)C(=O)Nc2cc3c(cc21)C=CC(C)(C)O3
InChIInChI=1S/C27H33N3O5/c1-7-24(2,3)26(15-27(34-6)23(33)30-12-8-9-19(30)21(31)29-27)17-13-16-10-11-25(4,5)35-20(16)14-18(17)28-22(26)32/h7,10-11,13-14,19H,1,8-9,12,15H2,2-6H3,(H,28,32)(H,29,31)/t19-,26-,27+/m0/s1
InChIKeyFXYUFVYNFXFTHL-FNLHRSDSSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (31390200)
ChEBI Ontology
Outgoing Relation(s)
Asperversiamide N (CHEBI:224571) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(3R,8aS)-3-[[(6S)-2,2-dimethyl-6-(2-methylbut-3-en-2-yl)-7-oxo-8H-pyrano[3,2-]indol-6-yl]methyl]-3-methoxy-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione
Manual XrefsDatabases
128444706ChemSpider