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CHEBI:227477 - Cyclotryprostatin A

ChEBI IDCHEBI:227477
ChEBI NameCyclotryprostatin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H25N3O5
Net Charge0
Average Mass411.458
Monoisotopic Mass411.17942
SMILESCOc1ccc2c3c(nc2c1)[C@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@@]1(O)[C@H]3O
InChIInChI=1S/C22H25N3O5/c1-11(2)9-16-18-17(13-7-6-12(30-3)10-14(13)23-18)19(26)22(29)21(28)24-8-4-5-15(24)20(27)25(16)22/h6-7,9-10,15-16,19,23,26,29H,4-5,8H2,1-3H3/t15-,16-,19-,22-/m0/s1
InChIKeyCPHRCQUGNAGVIB-ZLFOXAAKSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fumigatus (ncbitaxon:746128) - DOI (10.1016/s0040-4020(96)00978-7)
ChEBI Ontology
Outgoing Relation(s)
Cyclotryprostatin A (CHEBI:227477) is a β-carbolines (CHEBI:60834)
IUPAC Name 
(1S,2S,12S,15S)-1,2-dihydroxy-7-methoxy-12-(2-methylprop-1-enyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-14,20-dione
Manual XrefsDatabases
8963083ChemSpider