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CHEBI:199831 - Rel-(8S)-19,20-dihydro-9,20-dihydroxy-8-methoxy-9,18-diepifumitremorgin C

ChEBI IDCHEBI:199831
ChEBI NameRel-(8S)-19,20-dihydro-9,20-dihydroxy-8-methoxy-9,18-diepifumitremorgin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H29N3O6
Net Charge0
Average Mass443.500
Monoisotopic Mass443.20564
SMILESCOc1ccc2c3c(nc2c1)[C@H](CC(C)(C)O)N1C(=O)[C@H]2CCCN2C(=O)[C@]1(O)[C@@H]3OC
InChIInChI=1S/C23H29N3O6/c1-22(2,29)11-16-18-17(13-8-7-12(31-3)10-14(13)24-18)19(32-4)23(30)21(28)25-9-5-6-15(25)20(27)26(16)23/h7-8,10,15-16,19,24,29-30H,5-6,9,11H2,1-4H3/t15-,16+,19-,23-/m1/s1
InChIKeyIQQGHQDLZFLSGU-QIEVIBBNSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fumigatus (ncbitaxon:746128) - DOI (10.1002/hlca.201100521)
ChEBI Ontology
Outgoing Relation(s)
Rel-(8S)-19,20-dihydro-9,20-dihydroxy-8-methoxy-9,18-diepifumitremorgin C (CHEBI:199831) is a β-carbolines (CHEBI:60834)
IUPAC Name 
(1R,2R,12S,15R)-1-hydroxy-12-(2-hydroxy-2-methylpropyl)-2,7-dimethoxy-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
78440792ChemSpider