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CHEBI:29604 - gibberellin A8-catabolite

ChEBI IDCHEBI:29604
ChEBI Namegibberellin A8-catabolite
Stars
ASCII Namegibberellin A8-catabolite
DefinitionA tetracyclic diterpenoid obtained by catabolism of gibberellin A8.
Last Modified6 February 2018
DownloadsMolfile
FormulaC19H22O7
Net Charge0
Average Mass362.378
Monoisotopic Mass362.13655
SMILES[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(=O)O)[C@@]1([H])C2=CC(=O)[C@H](O)[C@@]1(C)C(=O)O
InChIInChI=1S/C19H22O7/c1-8-6-18-7-19(8,26)4-3-10(18)9-5-11(20)14(21)17(2,16(24)25)12(9)13(18)15(22)23/h5,10,12-14,21,26H,1,3-4,6-7H2,2H3,(H,22,23)(H,24,25)/t10-,12+,13+,14-,17-,18-,19-/m0/s1
InChIKeyNAOFYNMJUGRAFS-UWSJOQIXSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
gibberellin A8-catabolite (CHEBI:29604) has functional parent gibberellin A8 (CHEBI:28861)
gibberellin A8-catabolite (CHEBI:29604) has parent hydride ent-gibberellane (CHEBI:36766)
gibberellin A8-catabolite (CHEBI:29604) has role metabolite (CHEBI:25212)
gibberellin A8-catabolite (CHEBI:29604) is a dicarboxylic acid (CHEBI:35692)
gibberellin A8-catabolite (CHEBI:29604) is a enone (CHEBI:51689)
gibberellin A8-catabolite (CHEBI:29604) is a secondary α-hydroxy ketone (CHEBI:2468)
gibberellin A8-catabolite (CHEBI:29604) is a tetracyclic diterpenoid (CHEBI:52557)
IUPAC Name 
(1α,2β,4bβ,10β)-2,7-dihydroxy-1-methyl-8-methylene-3-oxogibb-4-ene-1,10-dicarboxylic acid
Synonym  Source
GA8-cataboliteMetaCyc
Manual XrefsDatabases
C11870KEGG COMPOUND
LMPR0104170027LIPID MAPS
CPD-229MetaCyc
Registry NumbersSources
Reaxys:5157962Reaxys
CAS:78791-79-4KEGG COMPOUND