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CHEBI:201110 - 5-N-acetyl-16alpha-hydroxyardeemin

ChEBI IDCHEBI:201110
ChEBI Name5-N-acetyl-16alpha-hydroxyardeemin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H28N4O4
Net Charge0
Average Mass484.556
Monoisotopic Mass484.21106
SMILESC=CC(C)(C)[C@]12c3ccccc3N(C(C)=O)[C@H]1N1C(=O)[C@@H](C)n3c(nc4ccccc4c3=O)[C@@H]1[C@@H]2O
InChIInChI=1S/C28H28N4O4/c1-6-27(4,5)28-18-12-8-10-14-20(18)31(16(3)33)26(28)32-21(22(28)34)23-29-19-13-9-7-11-17(19)25(36)30(23)15(2)24(32)35/h6-15,21-22,26,34H,1H2,2-5H3/t15-,21+,22+,26+,28+/m1/s1
InChIKeyNZEBQKVTPTVMHB-XEFJRJENSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (24443428)
ChEBI Ontology
Outgoing Relation(s)
5-N-acetyl-16alpha-hydroxyardeemin (CHEBI:201110) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1R,12R,15R,23S,24R)-16-acetyl-24-hydroxy-12-methyl-23-(2-methylbut-3-en-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
28287635ChemSpider