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CHEBI:142027 - gibberellin A3 norketone

ChEBI IDCHEBI:142027
ChEBI Namegibberellin A3 norketone
Stars
ASCII Namegibberellin A3 norketone
DefinitionA gibberellin norketone in which the =O of the keto function in gibberellin A3 is replaced by a =CH2 methylidene group.
Last Modified5 September 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC18H20O7
Net Charge0
Average Mass348.351
Monoisotopic Mass348.12090
SMILES[H][C@@]12CC[C@]3(O)C[C@]1(CC3=O)[C@@H](C(=O)O)[C@@]1([H])[C@@]23C=C[C@H](O)[C@@]1(C)C(=O)O3
InChIInChI=1S/C18H20O7/c1-15-9(19)3-5-18(25-14(15)23)8-2-4-17(24)7-16(8,6-10(17)20)11(12(15)18)13(21)22/h3,5,8-9,11-12,19,24H,2,4,6-7H2,1H3,(H,21,22)/t8-,9+,11-,12-,15-,16+,17+,18-/m1/s1
InChIKeyCSXHBOWVVRKTOB-XYOJOZHDSA-N
ChEBI Ontology
Outgoing Relation(s)
gibberellin A3 norketone (CHEBI:142027) has functional parent gibberellin A3 (CHEBI:28833)
gibberellin A3 norketone (CHEBI:142027) is a gibberellin norketone (CHEBI:142028)
IUPAC Name 
(1S,2S,4aR,4bR,7S,9aR,10S,10aR)-2,7-dihydroxy-1-methyl-8,13-dioxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
Synonym  Source
GA3 norketoneChEBI
Citations