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gibberellin A44

MNXM4597 is deprecated and here replaced by MNXM736480
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM736480 Image of MNXM736480
referencechebi:28211
formulaC20H26O5
global charge0
mol weight346.423
InChIKeyKSBJAONOPKRVRR-YTJHIPEWSA-N
InChIInChI=1S/C20H26O5/c1-11-8-19-9-20(11,24)7-4-12(19)18-6-3-5-17(2,16(23)25-10-18)14(18)13(19)15(21)22/h12-14,24H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14+,17+,18+,19-,20-/m0/s1
SMILESC=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O
MNX internals
InChI (mnx)InChI=1/C20H26O5/c1-11-8-19-9-20(11,24)7-4-12(19)18-6-3-5-17(2,16(23)25-10-18)14(18)13(19)15(21)22/h12-14,24H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14+,17+,18+,19-,20-/m0/s1 Image of MNXM736480
SMILES (mnx)[CH2:1]=[C:11]1[CH2:8][C@:19]23[CH2:9][C@@:20]1([OH:24])[CH2:7][CH2:4][C@H:12]2[C@:18]12[CH2:6][CH2:3][CH2:5][C@:17]([CH3:2])([C@H:14]1[C@@H:13]3[C:15](=[O:21])[OH:22])[C:16](=[O:23])[O:25][CH2:10]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:28211
chebi:28211
KSBJAONOPKRVRR-YTJHIPEWSA-N 		gibberellin A44
(1R,2R,5S,8S,9S,10S,11R)-5-hydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.1(5,8).0(1,10).0(2,8)]octadecane-9-carboxylic acid
(1R,4aR,4bR,7S,9aS,10S,10aS)-7-hydroxy-1-methyl-8-methylidene-12-oxododecahydro-7,9a-methano-1,4a-(methanooxymethano)benzo[a]azulene-10-carboxylic acid
7alpha-hydroxy-1beta-methyl-8-methylidene-12-oxo-1alpha,4a-(methanooxymethano)-4aalpha,4bbeta-gibbane-10beta-carboxylic acid
GA44
Gibberellin 44
Gibberellin A44
hmdb:HMDB0036901
KSBJAONOPKRVRR-YTJHIPEWSA-N 		Gibberellin A44
(1R,2R,5S,8S,9S,10S,11R)-5-hydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.1^{5,8}.0^{1,10}.0^{2,8}]octadecane-9-carboxylic acid
13-Hydroxy GA15
13-Hydroxygibberellin A15
GA44
GA44 (closed lactone form)
GA44 closed lactone
Gibberellin 44
Gibberellin 44 (closed lactone form)
Gibberellin A44 closed lactone

kegg.compound:C12308
keggC:C12308
KSBJAONOPKRVRR-YTJHIPEWSA-N 		Gibberellin A44
Gibberellin 44

CHEBI:58554
chebi:58554
KSBJAONOPKRVRR-YTJHIPEWSA-M 		gibberellin A44(1-)
(1R,2R,5S,8S,9S,10S,11R)-5-hydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.1(5,8).0(1,10).0(2,8)]octadecane-9-carboxylate
(1R,4aR,4bR,7S,9aS,10S,10aS)-7-hydroxy-1-methyl-8-methylidene-12-oxododecahydro-7,9a-methano-1,4a-(methanooxymethano)benzo[a]azulene-10-carboxylate
7alpha-hydroxy-1beta-methyl-8-methylidene-12-oxo-1alpha,4a-(methanooxymethano)-4aalpha,4bbeta-gibbane-10beta-carboxylate

hmdb:HMDB36901
chebi:14308
chebi:24245
chebi:31651
chebi:5347
chebi:59509
keggC:M_C12308 		secondary/obsolete/fantasy identifier