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gibberellin A53

Properties

Image

Occurences in reactions

MNX_ID

MNXM734814

	#reac
in my sandbox	0
in MNXref (generic)	11
in models (compartimentalized)	1

formula

C₂₀H₂₆O₅

charge

-2

mass

346.17912

reference

chebi:143954

InChIKey

CZEMYYICWZPENF-VOLTXKGXSA-L

InChI

InChI=1S/C20H28O5/c1-11-9-19-10-20(11,25)8-5-12(19)17(2)6-4-7-18(3,16(23)24)14(17)13(19)15(21)22/h12-14,25H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/p-2/t12-,13+,14-,17-,18+,19-,20-/m0/s1

SMILES

C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)[O-])[C@H]1[C@@H]3C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:143954 chebi:143954	gibberellin A53 gibberellin A53(2-)
sabiork.compound:8391 sabiorkM:8391 kegg.compound:C06094 keggC:C06094 lipidmaps:LMPR0104170007 lipidmapsM:LMPR0104170007	Gibberellin A53
seed.compound:cpd03634 seedM:cpd03634	Gibberellin A53 GA53 gibberellin A53
CHEBI:27433 chebi:27433	gibberellin A53 (1S,2S,3S,4R,8S,9S,12S)-12-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-2,4-dicarboxylic acid (1alpha,4aalpha,4bbeta,10beta)-7-hydroxy-1,4a-dimethyl-8-methylenegibbane-1,10-dicarboxylic acid 7alpha-hydroxy-1beta,4a-dimethyl-8-methylidene-4aalpha,4bbeta-gibbane-1alpha,10beta-dicarboxylic acid GA53 Gibberellin A53 gibberellin 53
metacyc.compound:CPD-695 metacycM:CPD-695	gibberellin A53 GA53
chebi:24247 chebi:5349 keggC:M_C06094 seedM:M_cpd03634	secondary/obsolete/fantasy identifier