EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:201700 - 10,11-Dihydro-24-hydroxyaflavinine

ChEBI IDCHEBI:201700
ChEBI Name10,11-Dihydro-24-hydroxyaflavinine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H41NO2
Net Charge0
Average Mass423.641
Monoisotopic Mass423.31373
SMILESCC1CCC2(C)C(C)CC(O)CC23CCC(C(C)(C)O)C(c2cc4ccccc4n2)C13
InChIInChI=1S/C28H41NO2/c1-17-10-12-27(5)18(2)14-20(30)16-28(27)13-11-21(26(3,4)31)24(25(17)28)23-15-19-8-6-7-9-22(19)29-23/h6-9,15,17-18,20-21,24-25,29-31H,10-14,16H2,1-5H3
InChIKeyZNPZDEJOIANYNU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
10,11-Dihydro-24-hydroxyaflavinine (CHEBI:201700) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(2S,4R,4aS,7R,7aS,8R,9R,11aS)-9-(2-hydroxypropan-2-yl)-8-(1H-indol-2-yl)-4,4a,7-trimethyl-1,2,3,4,5,6,7,7a,8,9,10,11-dodecahydrobenzo[j]naphthalen-2-ol
Manual XrefsDatabases
62783223ChemSpider