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CHEBI:202644 - Rel-(8R)-9-hydroxy-8-methoxy-18-epi-fumitremorgin C

ChEBI IDCHEBI:202644
ChEBI NameRel-(8R)-9-hydroxy-8-methoxy-18-epi-fumitremorgin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H27N3O5
Net Charge0
Average Mass425.485
Monoisotopic Mass425.19507
SMILESCOc1ccc2c3c(nc2c1)[C@@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@@H]3OC
InChIInChI=1S/C23H27N3O5/c1-12(2)10-17-19-18(14-8-7-13(30-3)11-15(14)24-19)20(31-4)23(29)22(28)25-9-5-6-16(25)21(27)26(17)23/h7-8,10-11,16-17,20,24,29H,5-6,9H2,1-4H3/t16-,17+,20+,23+/m0/s1
InChIKeyDARSEBUZHJPBHI-PYDOFHOQSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fumigatus (ncbitaxon:746128) - DOI (10.1002/hlca.201100521)
ChEBI Ontology
Outgoing Relation(s)
Rel-(8R)-9-hydroxy-8-methoxy-18-epi-fumitremorgin C (CHEBI:202644) is a β-carbolines (CHEBI:60834)
IUPAC Name 
(1R,2R,12R,15S)-1-hydroxy-2,7-dimethoxy-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
28533823ChemSpider