EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:201706 - Dihydroxyaflavinine

ChEBI IDCHEBI:201706
ChEBI NameDihydroxyaflavinine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H39NO3
Net Charge0
Average Mass437.624
Monoisotopic Mass437.29299
SMILESCC(CO)C1=C(c2cnc3ccccc23)C2C(C)CC(O)C3(C)C(C)CCC(O)C23CC1
InChIInChI=1S/C28H39NO3/c1-16-13-24(32)27(4)18(3)9-10-23(31)28(27)12-11-19(17(2)15-30)25(26(16)28)21-14-29-22-8-6-5-7-20(21)22/h5-8,14,16-18,23-24,26,29-32H,9-13,15H2,1-4H3
InChIKeyZMEZVDUXYBOYTB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Dihydroxyaflavinine (CHEBI:201706) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,4R,4aS,5R,7R,7aS)-9-[(2S)-1-hydroxypropan-2-yl]-8-(1H-indol-3-yl)-4,4a,7-trimethyl-1,2,3,4,5,6,7,7a,10,11-decahydrobenzo[d]naphthalene-1,5-diol
Manual XrefsDatabases
138083ChemSpider