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CHEBI:217973 - rel-(8S,19S)-19,20-dihydro-9,19,20-trihydroxy-8-methoxy-9-epi-fumitremorgin C

ChEBI IDCHEBI:217973
ChEBI Namerel-(8S,19S)-19,20-dihydro-9,19,20-trihydroxy-8-methoxy-9-epi-fumitremorgin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H29N3O7
Net Charge0
Average Mass459.499
Monoisotopic Mass459.20055
SMILESCOc1ccc2c3c(nc2c1)[C@@H]([C@@H](O)C(C)(C)O)N1C(=O)[C@H]2CCCN2C(=O)[C@]1(O)[C@@H]3OC
InChIInChI=1S/C23H29N3O7/c1-22(2,30)18(27)17-16-15(12-8-7-11(32-3)10-13(12)24-16)19(33-4)23(31)21(29)25-9-5-6-14(25)20(28)26(17)23/h7-8,10,14,17-19,24,27,30-31H,5-6,9H2,1-4H3/t14-,17+,18-,19-,23-/m1/s1
InChIKeyJTZDDPDEGUVQKP-HOKSWIGBSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fumigatus (ncbitaxon:746128) - DOI (10.1002/hlca.201100521)
ChEBI Ontology
Outgoing Relation(s)
rel-(8S,19S)-19,20-dihydro-9,19,20-trihydroxy-8-methoxy-9-epi-fumitremorgin C (CHEBI:217973) is a β-carbolines (CHEBI:60834)
IUPAC Name 
(1R,2R,12S,15R)-12-[(1R)-1,2-dihydroxy-2-methylpropyl]-1-hydroxy-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
78441363ChemSpider