EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:218222 - Asterriquinol F

ChEBI IDCHEBI:218222
ChEBI NameAsterriquinol F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H22N2O5
Net Charge0
Average Mass430.460
Monoisotopic Mass430.15287
SMILESCOc1c(OC)c2c(c(OC)c1-c1cnc3ccccc13)O[C@H]1Nc3ccccc3[C@]21O
InChIInChI=1S/C25H22N2O5/c1-29-20-18(14-12-26-16-10-6-4-8-13(14)16)21(30-2)23-19(22(20)31-3)25(28)15-9-5-7-11-17(15)27-24(25)32-23/h4-12,24,26-28H,1-3H3/t24-,25+/m1/s1
InChIKeyDKIGWCWTSWEVBG-RPBOFIJWSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (26988164)
ChEBI Ontology
Outgoing Relation(s)
Asterriquinol F (CHEBI:218222) is a indoles (CHEBI:24828)
IUPAC Name 
(5aR,10bS)-3-(1H-indol-3-yl)-1,2,4-trimethoxy-5a,6-dihydro-[1]benzouro[2,3-b]indol-10b-ol
Manual XrefsDatabases
78441798ChemSpider