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gibberellin A12 aldehyde

MNXM1559 is deprecated and here replaced by MNXM525869
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM525869 Image of MNXM525869
referencechebi:57432
formulaC20H27O3
global charge-1
mol weight315.433
InChIKeyZCTUNYRXJKLWPY-LLCOKINKSA-M
InChIInChI=1S/C20H28O3/c1-12-9-20-10-13(12)5-6-15(20)18(2)7-4-8-19(3,17(22)23)16(18)14(20)11-21/h11,13-16H,1,4-10H2,2-3H3,(H,22,23)/p-1/t13-,14+,15+,16+,18+,19-,20-/m1/s1
SMILESC=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)[O-])[C@H]1[C@@H]3C=O
MNX internals
InChI (mnx)InChI=1/C20H28O3/c1-12-9-20-10-13(12)5-6-15(20)18(2)7-4-8-19(3,17(22)23)16(18)14(20)11-21/h11,13-16H,1,4-10H2,2-3H3,(H,22,23)/t13-,14+,15+,16+,18+,19-,20-/m1/s1 Image of MNXM525869
SMILES (mnx)[CH2:1]=[C:12]1[CH2:9][C@:20]23[CH2:10][C@H:13]1[CH2:5][CH2:6][C@H:15]2[C@:18]1([CH3:2])[CH2:7][CH2:4][CH2:8][C@@:19]([CH3:3])([C:17](=[O:22])[OH:23])[C@H:16]1[C@@H:14]3[CH:11]=[O:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)19
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57432
chebi:57432
ZCTUNYRXJKLWPY-LLCOKINKSA-M 		gibberellin A12 aldehyde
(1R,2S,3S,4R,8S,9S,12R)-2-formyl-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-4-carboxylate
(1alpha,4aalpha,4bbeta,10beta)-10-formyl-1,4a-dimethyl-8-methylenegibbane-1-carboxylate
10beta-formyl-1beta,4a-dimethyl-8-methylidene-4aalpha,4bbeta-gibbane-1alpha-carboxylate
gibberellin A12 aldehyde(1-)
hmdb:HMDB0039484
ZCTUNYRXJKLWPY-LLCOKINKSA-N 		Gibberellin A12 aldehyde
(1R,2S,3S,4R,8S,9S,12R)-2-formyl-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0^{1,9}.0^{3,8}]pentadecane-4-carboxylic acid
(1a,4Aalpha,4bbeta,10b)-10-formyl-1,4a-dimethyl-8-methylenegibbane-1-carboxylate
(1a,4Aalpha,4bbeta,10b)-10-formyl-1,4a-dimethyl-8-methylenegibbane-1-carboxylic acid
(1alpha,4Aalpha,4bbeta,10beta)-10-formyl-1,4a-dimethyl-8-methylenegibbane-1-carboxylate
(1alpha,4Aalpha,4bbeta,10beta)-10-formyl-1,4a-dimethyl-8-methylenegibbane-1-carboxylic acid
(1alpha,4aalpha,4bbeta,10beta)-10-formyl-1,4a-dimethyl-8-methylenegibbane-1-carboxylate
(1alpha,4aalpha,4bbeta,10beta)-10-formyl-1,4a-dimethyl-8-methylenegibbane-1-carboxylic acid
GA12-aldehyde
Gibberellin a12 7-aldehyde
Gibberellin a12 7-carboxaldehyde
Gibberellin-a-12-aldehyde

seed.compound:cpd03633
seedM:cpd03633
ZCTUNYRXJKLWPY-LLCOKINKSA-M 		Gibberellin A12 aldehyde
GA12-aldehyde
gibberellin A12-aldehyde

lipidmaps:LMPR0104170040
lipidmapsM:LMPR0104170040
ZCTUNYRXJKLWPY-LLCOKINKSA-N 		gibberellin A12 aldehyde
(1R,2S,3S,4R,8S,9S,12R)-2-formyl-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-4-carboxylic acid 10beta-formyl-1beta,4a-dimethyl-8-methylidene-4aalpha,4bbeta-gibbane-1alpha-carboxylic acid
(1alpha,4aalpha,4bbeta,10beta)-10-formyl-1,4a-dimethyl-8-methylene-gibbane-1-carboxylic acid
Gibberellin A12 aldehyde
Gibberellin-A-12-aldehyde

CHEBI:15610
chebi:15610
ZCTUNYRXJKLWPY-LLCOKINKSA-N 		gibberellin A12 aldehyde
(1R,2S,3S,4R,8S,9S,12R)-2-formyl-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-4-carboxylic acid
(1alpha,4aalpha,4bbeta,10beta)-10-formyl-1,4a-dimethyl-8-methylenegibbane-1-carboxylic acid
10beta-formyl-1beta,4a-dimethyl-8-methylidene-4aalpha,4bbeta-gibbane-1alpha-carboxylic acid
GA12-aldehyde
Gibberellin A12 aldehyde
Gibberellin-A-12-aldehyde
hmdb:HMDB0304358
ZCTUNYRXJKLWPY-LLCOKINKSA-M 		gibberellin A12-aldehyde
(1R,2S,3S,4R,8S,9S,12R)-2-formyl-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0¹,⁹.0³,⁸]pentadecane-4-carboxylate
(1a,4Aalpha,4bbeta,10b)-10-formyl-1,4a-dimethyl-8-methylenegibbane-1-carboxylate
(1a,4Aalpha,4bbeta,10b)-10-formyl-1,4a-dimethyl-8-methylenegibbane-1-carboxylic acid
(1alpha,4Aalpha,4bbeta,10beta)-10-formyl-1,4a-dimethyl-8-methylenegibbane-1-carboxylate
(1alpha,4Aalpha,4bbeta,10beta)-10-formyl-1,4a-dimethyl-8-methylenegibbane-1-carboxylic acid
(1alpha,4aalpha,4bbeta,10beta)-10-formyl-1,4a-dimethyl-8-methylenegibbane-1-carboxylate
(1alpha,4aalpha,4bbeta,10beta)-10-formyl-1,4a-dimethyl-8-methylenegibbane-1-carboxylic acid
Gibberellin a12 aldehyde
gibberellin A12 aldehyde(1-)

metacyc.compound:CPD1F-138
metacycM:CPD1F-138
ZCTUNYRXJKLWPY-LLCOKINKSA-M 		gibberellin A12-aldehyde
GA12-aldehyde

hmdb:HMDB39484
chebi:10875
chebi:14302
chebi:24249
chebi:5342
seedM:M_cpd03633 		secondary/obsolete/fantasy identifier