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CHEBI:205200 - (16S)-hydroxyroquefortine C

ChEBI IDCHEBI:205200
ChEBI Name(16S)-hydroxyroquefortine C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H23N5O3
Net Charge0
Average Mass405.458
Monoisotopic Mass405.18009
SMILESC=CC(C)(C)[C@@]12C[C@]3(O)C(=O)NC(=Cc4cncn4)C(=O)N3[C@@H]1Nc1ccccc12
InChIInChI=1S/C22H23N5O3/c1-4-20(2,3)21-11-22(30)19(29)26-16(9-13-10-23-12-24-13)17(28)27(22)18(21)25-15-8-6-5-7-14(15)21/h4-10,12,18,25,30H,1,11H2,2-3H3,(H,23,24)(H,26,29)/t18-,21+,22-/m0/s1
InChIKeyKZSZQDUCTFQAES-BWAGFHJFSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.tetlet.2011.12.052)
ChEBI Ontology
Outgoing Relation(s)
(16S)-hydroxyroquefortine C (CHEBI:205200) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1S,7S,9R)-7-hydroxy-4-(1H-imidazol-5-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione