CHEBI:213609 - 12-demethyl-12-oxo-eurotechinulin B

ChEBI IDCHEBI:213609
ChEBI Name12-demethyl-12-oxo-eurotechinulin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H33N3O3
Net Charge0
Average Mass459.590
Monoisotopic Mass459.25219
SMILESC=CC(C)(C)C1=Nc2c(CC=C(C)C)cc(CC=C(C)C)cc2C1=Cc1nc(=O)c(=O)nc1O
InChIInChI=1S/C28H33N3O3/c1-8-28(6,7)24-21(15-22-25(32)31-27(34)26(33)29-22)20-14-18(11-9-16(2)3)13-19(23(20)30-24)12-10-17(4)5/h8-10,13-15H,1,11-12H2,2-7H3,(H,29,33)(H2,31,32,34)
InChIKeyQBHLUAIWFDJXQG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus ruber (ncbitaxon:396024) - DOI (10.1002/hlca.201100255)
ChEBI Ontology
Outgoing Relation(s)
12-demethyl-12-oxo-eurotechinulin B (CHEBI:213609) is a indoles (CHEBI:24828)
IUPAC Name 
5-hydroxy-6-[[2-(2-methylbut-3-en-2-yl)-5,7-bis(3-methylbut-2-enyl)indol-3-ylidene]methyl]-1,4-dihydropyrazine-2,3-dione