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CHEBI:73252 - gibberellin A4 methyl ester

ChEBI IDCHEBI:73252
ChEBI Namegibberellin A4 methyl ester
Stars
ASCII Namegibberellin A4 methyl ester
DefinitionA gibberellin ester that is the methyl ester of gibberellin A4.
Last Modified6 September 2018
SubmitterKAX
DownloadsMolfile
FormulaC20H26O5
Net Charge0
Average Mass346.423
Monoisotopic Mass346.17802
SMILES[H][C@@]12CC[C@@H]3C[C@]1(CC3=C)[C@@H](C(=O)OC)[C@@]1([H])[C@@]23CC[C@H](O)[C@@]1(C)C(=O)O3
InChIInChI=1S/C20H26O5/c1-10-8-19-9-11(10)4-5-12(19)20-7-6-13(21)18(2,17(23)25-20)15(20)14(19)16(22)24-3/h11-15,21H,1,4-9H2,2-3H3/t11-,12-,13+,14-,15-,18-,19+,20-/m1/s1
InChIKeyXBDTWBSMNXMGIJ-ZTVWUKKDSA-N
ChEBI Ontology
Outgoing Relation(s)
gibberellin A4 methyl ester (CHEBI:73252) has functional parent gibberellin A4 (CHEBI:32902)
gibberellin A4 methyl ester (CHEBI:73252) is a gibberellin ester (CHEBI:73268)
gibberellin A4 methyl ester (CHEBI:73252) is a lactone (CHEBI:25000)
gibberellin A4 methyl ester (CHEBI:73252) is a methyl ester (CHEBI:25248)
IUPAC Name 
methyl (1S,2S,4aR,4bR,7R,9aR,10S,10aR)-2-hydroxy-1-methyl-8-methylene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylate
Synonyms  Source
GA4 methyl esterChEBI
MeGA4MetaCyc
methyl GA4MetaCyc
methyl gibberellin A4MetaCyc
methyl 2β-hydroxy-1β-methyl-8-methylidene-13-oxo-4a,1α-epoxymethano-4aα,4bβ-gibbane-10β-carboxylateChEBI
UniProt Name  Source
O-methyl gibberellin A4UniProt
Manual XrefsDatabases
CPD-12332MetaCyc
Registry NumbersSources
Reaxys:50036Reaxys
Citations