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CHEBI:3187 - browniine

ChEBI IDCHEBI:3187
ChEBI Namebrowniine
Stars
DefinitionA diterpenoid that is aconitane bearing an N-ethyl as well as several hydroxy and methoxy substituents.
Last Modified3 August 2014
DownloadsMolfile
FormulaC25H41NO7
Net Charge0
Average Mass467.603
Monoisotopic Mass467.28830
SMILES[H][C@]12C[C@]3([H])[C@]([H])([C@H]1O)[C@](O)(C[C@@H]2OC)[C@]1(O)C2N(CC)C[C@]4(COC)CC[C@H](OC)[C@@]23[C@]4([H])[C@@H]1OC
InChIInChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21?,22+,23-,24+,25-/m1/s1
InChIKeyMODXUQZMEBLSJD-YAEAOFIFSA-N
ChEBI Ontology
Outgoing Relation(s)
browniine (CHEBI:3187) has parent hydride aconitane (CHEBI:35911)
browniine (CHEBI:3187) is a diterpenoid (CHEBI:23849)
Incoming Relation(s)
14-O-acetylbrowniine (CHEBI:2414) has functional parent browniine (CHEBI:3187)
IUPAC Name 
20-ethyl-1α,6β,16β-trimethoxy-4-(methoxymethyl)aconitane-7,8,14α-triol
Synonyms  Source
BrowniineKEGG COMPOUND
Aconitane-7,8,14-triol, 20-ethyl-4-(methoxymethyl)-1,6,16-trimethoxy-, (1-alpha,6-beta,14-alpha,16-beta)-KEGG COMPOUND
Manual XrefsDatabases
C08665KEGG COMPOUND
C00001621KNApSAcK
Registry NumbersSources
Reaxys:6491028Reaxys
Reaxys:7832316Reaxys
Reaxys:6772512Reaxys
CAS:5140-42-1KEGG COMPOUND
CAS:5140-42-1ChemIDplus