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CHEBI:211897 - 3-[[2,5-dihydroxy-4-[[2-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-3,6-dioxocyclohexa-1,4-dien-1-yl]methyl]-2-(3-methylbut-2-enyl)-1H-indole-7-carboxylic acid

ChEBI IDCHEBI:211897
ChEBI Name3-[[2,5-dihydroxy-4-[[2-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-3,6-dioxocyclohexa-1,4-dien-1-yl]methyl]-2-(3-methylbut-2-enyl)-1H-indole-7-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H34N2O6
Net Charge0
Average Mass578.665
Monoisotopic Mass578.24169
SMILESCC(C)=CCc1nc2ccccc2c1CC1=C(O)C(=O)C(Cc2c(CC=C(C)C)nc3c(C(=O)O)cccc23)=C(O)C1=O
InChIInChI=1S/C35H34N2O6/c1-18(2)12-14-28-23(20-8-5-6-11-27(20)36-28)16-25-31(38)33(40)26(34(41)32(25)39)17-24-21-9-7-10-22(35(42)43)30(21)37-29(24)15-13-19(3)4/h5-13,36-38,41H,14-17H2,1-4H3,(H,42,43)
InChIKeyUXDCBYNXJAZYOP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus candidus (ncbitaxon:41067) - PubMed (10348035)
ChEBI Ontology
Outgoing Relation(s)
3-[[2,5-dihydroxy-4-[[2-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-3,6-dioxocyclohexa-1,4-dien-1-yl]methyl]-2-(3-methylbut-2-enyl)-1H-indole-7-carboxylic acid (CHEBI:211897) is a indoles (CHEBI:24828)
IUPAC Name 
3-[[2,5-dihydroxy-4-[[2-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-3,6-dioxocyclohexa-1,4-dien-1-yl]methyl]-2-(3-methylbut-2-enyl)-1H-indole-7-carboxylic acid
Manual XrefsDatabases
8754484ChemSpider