EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:210948 - Asterriquinone CT3

ChEBI IDCHEBI:210948
ChEBI NameAsterriquinone CT3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H30N2O4
Net Charge0
Average Mass506.602
Monoisotopic Mass506.22056
SMILESCC(C)=CCc1ccc2c(C3=C(O)C(=O)C(c4cnc5cc(CC=C(C)C)ccc45)=C(O)C3=O)cnc2c1
InChIInChI=1S/C32H30N2O4/c1-17(2)5-7-19-9-11-21-23(15-33-25(21)13-19)27-29(35)31(37)28(32(38)30(27)36)24-16-34-26-14-20(8-6-18(3)4)10-12-22(24)26/h5-6,9-16,33-35,38H,7-8H2,1-4H3
InChIKeyDMPXDLRQZYXVHL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Trichocladium griseum (ncbitaxon:2567926) - PubMed (8931717)
ChEBI Ontology
Outgoing Relation(s)
Asterriquinone CT3 (CHEBI:210948) is a indoles (CHEBI:24828)
IUPAC Name 
2,5-dihydroxy-3,6-bis[6-(3-methylbut-2-enyl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione
Manual XrefsDatabases
416435ChemSpider