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CHEBI:197994 - Demethylasterriquinone B1

ChEBI IDCHEBI:197994
ChEBI NameDemethylasterriquinone B1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H30N2O4
Net Charge0
Average Mass506.602
Monoisotopic Mass506.22056
SMILESC=CC(C)(C)c1nc2ccccc2c1C1=C(O)C(=O)C(c2cnc3c(CC=C(C)C)cccc23)=C(O)C1=O
InChIInChI=1S/C32H30N2O4/c1-6-32(4,5)31-23(20-11-7-8-13-22(20)34-31)25-29(37)27(35)24(28(36)30(25)38)21-16-33-26-18(15-14-17(2)3)10-9-12-19(21)26/h6-14,16,33-35,38H,1,15H2,2-5H3
InChIKeyXMGNJVXBPZAETK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pseudomassaria (ncbitaxon:398387) - PubMed (10320380)
ChEBI Ontology
Outgoing Relation(s)
Demethylasterriquinone B1 (CHEBI:197994) is a prenylquinone (CHEBI:26255)
IUPAC Name 
2,5-dihydroxy-3-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]-6-[7-(3-methylbut-2-enyl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione
Manual XrefsDatabases
HMDB0250991HMDB
2281897ChemSpider