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CHEBI:210425 - 5-N-acetyl-15bbeta-hydroxyardeemin

ChEBI IDCHEBI:210425
ChEBI Name5-N-acetyl-15bbeta-hydroxyardeemin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H28N4O4
Net Charge0
Average Mass484.556
Monoisotopic Mass484.21106
SMILESC=CC(C)(C)[C@@]12C[C@@]3(O)c4nc5ccccc5c(=O)n4[C@H](C)C(=O)N3[C@@H]1N(C(C)=O)c1ccccc12
InChIInChI=1S/C28H28N4O4/c1-6-26(4,5)27-15-28(36)24-29-20-13-9-7-11-18(20)23(35)30(24)16(2)22(34)32(28)25(27)31(17(3)33)21-14-10-8-12-19(21)27/h6-14,16,25,36H,1,15H2,2-5H3/t16-,25+,27-,28-/m1/s1
InChIKeyUTVHCNQHDCRVMF-HMGCFDHMSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (24443428)
ChEBI Ontology
Outgoing Relation(s)
5-N-acetyl-15bbeta-hydroxyardeemin (CHEBI:210425) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1R,12R,15S,23R)-16-acetyl-1-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
8158382ChemSpider