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CHEBI:199974 - Cyclotryprostatin C

ChEBI IDCHEBI:199974
ChEBI NameCyclotryprostatin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H23N3O4
Net Charge0
Average Mass381.432
Monoisotopic Mass381.16886
SMILESCC(C)=C[C@H]1c2nc3ccccc3c2[C@H](O)[C@@]2(O)C(=O)N3CCC[C@H]3C(=O)N12
InChIInChI=1S/C21H23N3O4/c1-11(2)10-15-17-16(12-6-3-4-7-13(12)22-17)18(25)21(28)20(27)23-9-5-8-14(23)19(26)24(15)21/h3-4,6-7,10,14-15,18,22,25,28H,5,8-9H2,1-2H3/t14-,15-,18-,21+/m0/s1
InChIKeyCSRLIYIWILNEDP-YAUSHBINSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fumigatus (ncbitaxon:746128) - DOI (10.1016/s0040-4020(96)00978-7)
ChEBI Ontology
Outgoing Relation(s)
Cyclotryprostatin C (CHEBI:199974) is a β-carbolines (CHEBI:60834)
IUPAC Name 
(1R,2S,12S,15S)-1,2-dihydroxy-12-(2-methylprop-1-enyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4,6,8-tetraene-14,20-dione
Manual XrefsDatabases
8961395ChemSpider