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CHEBI:142006 - gibberellin A68

ChEBI IDCHEBI:142006
ChEBI Namegibberellin A68
Stars
ASCII Namegibberellin A68
DefinitionA C19-gibberellin, initially identified in Malus sylvestris. It differs from gibberellin A1 in the absence of an OH group at C-7 and the presence of a double bond between C-3 and C-4 (all gibbane numbering).
Last Modified5 September 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC19H22O6
Net Charge0
Average Mass346.379
Monoisotopic Mass346.14164
SMILES[H][C@@]12CC[C@@H]3C[C@]1([C@H](O)C3=C)[C@@H](C(=O)O)[C@@]1([H])[C@@]23C=C[C@H](O)[C@@]1(C)C(=O)O3
InChIInChI=1S/C19H22O6/c1-8-9-3-4-10-18(7-9,14(8)21)12(15(22)23)13-17(2)11(20)5-6-19(10,13)25-16(17)24/h5-6,9-14,20-21H,1,3-4,7H2,2H3,(H,22,23)/t9-,10-,11+,12-,13-,14-,17-,18-,19-/m1/s1
InChIKeyZKSDYVWXHSIQFM-ZUJRJSPDSA-N
Species of MetaboliteComponentSourceComments
Malus sylvestris (ncbitaxon:3752) - PubMed (24232845)
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
plant hormone  A plant growth regulator that modulates the formation of stems, leaves and flowers, as well as the development and ripening of fruit. The term includes endogenous and non-endogenous compounds (e.g. active compounds produced by bacteria on the leaf surface) as well as semi-synthetic and fully synthetic compounds.
ChEBI Ontology
Outgoing Relation(s)
gibberellin A68 (CHEBI:142006) has role plant metabolite (CHEBI:76924)
gibberellin A68 (CHEBI:142006) is a C19-gibberellin (CHEBI:20858)
gibberellin A68 (CHEBI:142006) is a gibberellin monocarboxylic acid (CHEBI:38305)
gibberellin A68 (CHEBI:142006) is a lactone (CHEBI:25000)
IUPAC Names 
(1S,2S,4aR,4bR,7R,9R,9aR,10S,10aR)-2,9-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
2β,9β-dihydroxy-1β-methyl-8-methylidene-13-oxo-4a,1α-epoxymethano-4aα,4bβ-gibb-3-ene-10β-carboxylic acid
Synonyms  Source
(1S,2S,4aR,4bR,7R,9R,9aR,10S,10aR)-2,9-dihydroxy-1-methyl-8-methylene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acidIUPAC
ent-3α,10β,15α-trihydroxy-20-norgibberella-1,16-diene-7,19-dioic acid 19,10-lactoneChEBI
Citations