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CHEBI:218748 - Carneamide A

ChEBI IDCHEBI:218748
ChEBI NameCarneamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H31N3O3
Net Charge0
Average Mass445.563
Monoisotopic Mass445.23654
SMILESC=CC(C)(C)c1nc2cc3c(cc2c1C[C@]1(C)NC(=O)C2=CCCN2C1=O)C=CC(C)(C)O3
InChIInChI=1S/C27H31N3O3/c1-7-25(2,3)22-18(15-27(6)24(32)30-12-8-9-20(30)23(31)29-27)17-13-16-10-11-26(4,5)33-21(16)14-19(17)28-22/h7,9-11,13-14,28H,1,8,12,15H2,2-6H3,(H,29,31)/t27-/m0/s1
InChIKeyXEVUOUYSDCDRMH-MHZLTWQESA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (22658281)
ChEBI Ontology
Outgoing Relation(s)
Carneamide A (CHEBI:218748) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(3S)-3-[[2,2-dimethyl-7-(2-methylbut-3-en-2-yl)-8H-pyrano[3,2-]indol-6-yl]methyl]-3-methyl-6,7-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione