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CHEBI:199257 - 5-N-acetyl-8-isopropylardeemin

ChEBI IDCHEBI:199257
ChEBI Name5-N-acetyl-8-isopropylardeemin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H32N4O3
Net Charge0
Average Mass496.611
Monoisotopic Mass496.24744
SMILESC=CC(C)(C)[C@@]12C[C@H]3c4nc5ccccc5c(=O)n4[C@H](C(C)C)C(=O)N3[C@@H]1N(C(C)=O)c1ccccc12
InChIInChI=1S/C30H32N4O3/c1-7-29(5,6)30-16-23-25-31-21-14-10-8-12-19(21)26(36)34(25)24(17(2)3)27(37)33(23)28(30)32(18(4)35)22-15-11-9-13-20(22)30/h7-15,17,23-24,28H,1,16H2,2-6H3/t23-,24+,28-,30+/m0/s1
InChIKeyKQMADIVDSZQPHC-UFPVPOCKSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.phytol.2016.06.006)
ChEBI Ontology
Outgoing Relation(s)
5-N-acetyl-8-isopropylardeemin (CHEBI:199257) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1S,12R,15R,23R)-16-acetyl-23-(2-methylbut-3-en-2-yl)-12-propan-2-yl-3,11,14,16-tetrazahexacyclo[12.10.0.02,11.04,9.015,23.017,22]tetracosa-2,4,6,8,17,19,21-heptaene-10,13-dione
Manual XrefsDatabases
78443497ChemSpider