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CHEBI:225878 - 9-hydroxyfumitremorgin C

ChEBI IDCHEBI:225878
ChEBI Name9-hydroxyfumitremorgin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H25N3O4
Net Charge0
Average Mass395.459
Monoisotopic Mass395.18451
SMILESCOc1ccc2c3c(nc2c1)[C@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)C3
InChIInChI=1S/C22H25N3O4/c1-12(2)9-18-19-15(14-7-6-13(29-3)10-16(14)23-19)11-22(28)21(27)24-8-4-5-17(24)20(26)25(18)22/h6-7,9-10,17-18,23,28H,4-5,8,11H2,1-3H3/t17-,18-,22+/m0/s1
InChIKeyGAQLGONAVPUXSP-NPPFBWRTSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (22344914)
ChEBI Ontology
Outgoing Relation(s)
9-hydroxyfumitremorgin C (CHEBI:225878) is a β-carbolines (CHEBI:60834)
IUPAC Name 
(1R,12S,15S)-1-hydroxy-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
29214104ChemSpider