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gibberellin A3 O-beta-D-glucoside

MNXM3605 is deprecated and here replaced by MNXM1106072
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1106072 Image of MNXM1106072
referencechebi:59791
formulaC25H31O11
global charge-1
mol weight507.512
InChIKeyWUTOEZVIPGBMEA-HRHVLVCKSA-M
InChIInChI=1S/C25H32O11/c1-10-7-23-9-24(10,33)5-3-12(23)25-6-4-13(22(2,21(32)36-25)18(25)14(23)19(30)31)35-20-17(29)16(28)15(27)11(8-26)34-20/h4,6,11-18,20,26-29,33H,1,3,5,7-9H2,2H3,(H,30,31)/p-1/t11-,12-,13+,14-,15-,16+,17-,18-,20+,22-,23+,24+,25-/m1/s1
SMILESC=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C=C[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C25H32O11/c1-10-7-23-9-24(10,33)5-3-12(23)25-6-4-13(22(2,21(32)36-25)18(25)14(23)19(30)31)35-20-17(29)16(28)15(27)11(8-26)34-20/h4,6,11-18,20,26-29,33H,1,3,5,7-9H2,2H3,(H,30,31)/t11-,12-,13+,14-,15-,16+,17-,18-,20+,22-,23+,24+,25-/m1/s1 Image of MNXM1106072
SMILES (mnx)[CH2:1]=[C:10]1[CH2:7][C@:23]23[CH2:9][C@@:24]1([OH:33])[CH2:5][CH2:3][C@H:12]2[C@:25]12[CH:6]=[CH:4][C@H:13]([O:35][C@H:20]4[C@H:17]([OH:29])[C@@H:16]([OH:28])[C@H:15]([OH:27])[C@@H:11]([CH2:8][OH:26])[O:34]4)[C@:22]([CH3:2])([C@H:18]1[C@@H:14]3[C:19](=[O:30])[OH:31])[C:21](=[O:32])[O:36]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:59791
chebi:59791
WUTOEZVIPGBMEA-HRHVLVCKSA-M 		gibberellin A3 O-beta-D-glucoside
(1R,2R,5S,8S,9S,10R,11S,12S)-12-(beta-D-glucopyranosyloxy)-5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1(5,8).0(1,10).0(2,8)]heptadec-13-ene-9-carboxylate
2beta-(beta-D-glucopyranosyloxy)-2beta-hydroxy-1beta-methyl-8-methylidene-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibb-3-ene-10beta-carboxylate
gibberellin A3 O-beta-D-glucoside(1-)

vmhM:gbrln2bglsd
vmhmetabolite:gbrln2bglsd
WUTOEZVIPGBMEA-HRHVLVCKSA-N 		Gibberellin 2-O-beta-D-glucoside

CHEBI:52076
chebi:52076
WUTOEZVIPGBMEA-HRHVLVCKSA-N 		gibberellin A3 O-beta-D-glucoside
(1R,2R,8S,9S,10R,11S,12S)-12-(beta-D-glucopyranosyloxy)-5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1(5,8).0(1,10).0(2,8)]heptadec-13-ene-9-carboxylic acid
2beta-(beta-D-glucopyranosyloxy)-2beta-hydroxy-1beta-methyl-8-methylidene-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibb-3-ene-10beta-carboxylic acid
Gibberellin 2-O-beta-D-glucoside

vmhM:M_gbrln2bglsd 		secondary/obsolete/fantasy identifier