CHEBI:205200 - (16S)-hydroxyroquefortine C

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ChEBI Name (16S)-hydroxyroquefortine C
ChEBI ID CHEBI:205200
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C22H23N5O3
Net Charge 0
Average Mass 405.458
Monoisotopic Mass 405.18009
InChI InChI=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
InChIKey KZSZQDUCTFQAES-BWAGFHJFSA-N
SMILES O=C1N2[C@@](O)(C(=O)NC1=CC=3NC=NC3)C[C@@]4([C@H]2NC=5C=CC=CC45)C(C=C)(C)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: DOI
ChEBI Ontology
Outgoing (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