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gibberellin A12

PropertiesImage
MNX_IDMNXM496901 Image of MNXM496901
referencechebi:58627
formulaC20H26O4
global charge-2
mol weight330.424
InChIKeyUJFQJDAESQJXTG-UFUZVNNQSA-L
InChIInChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/p-2/t12-,13+,14-,15+,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)[O-]
MNX internals
InChI (mnx)InChI=1/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1 Image of MNXM496901
SMILES (mnx)[CH2:1]=[C:11]1[CH2:9][C@:20]23[CH2:10][C@H:12]1[CH2:5][CH2:6][C@H:13]2[C@:18]1([CH3:2])[CH2:7][CH2:4][CH2:8][C@@:19]([CH3:3])([C:17](=[O:23])[OH:24])[C@H:15]1[C@@H:14]3[C:16](=[O:21])[OH:22]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)33
in models (compartimentalized) 7
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58627
chebi:58627
UJFQJDAESQJXTG-UFUZVNNQSA-L 		gibberellin A12
(1R,2S,3S,4R,8S,9S,12R)-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-2,4-dicarboxylate
1beta,4a-dimethyl-8-methylidene-4aalpha,4bbeta-gibbane-1alpha,10beta-dicarboxylate
gibberellin A12(2-)

seed.compound:cpd22482
seedM:cpd22482
UJFQJDAESQJXTG-UFUZVNNQSA-L 		C20 skeleton
C20-GA skeleton
C20-GAs
C20-gibberellin skeleton
open lactone gibberrellin skeleton
hmdb:HMDB0301912
UJFQJDAESQJXTG-UFUZVNNQSA-N 		Gibberellin A116
(1R,2S,3S,4R,8S,9S,12R)-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0¹,⁹.0³,⁸]pentadecane-2,4-dicarboxylic acid
GA12
Gibberellin 12
Gibberellin-a-12
gibberellin A12

sabiork.compound:13913
sabiorkM:13913
kegg.compound:C11857
keggC:C11857
lipidmaps:LMPR0104170014
lipidmapsM:LMPR0104170014
UJFQJDAESQJXTG-UFUZVNNQSA-N 		Gibberellin A12

seed.compound:cpd08655
seedM:cpd08655
UJFQJDAESQJXTG-UFUZVNNQSA-L 		Gibberellin A12
GA12
gibberellin A12

CHEBI:30088
chebi:30088
UJFQJDAESQJXTG-UFUZVNNQSA-N 		gibberellin A12
(1R,2S,3S,4R,8S,9S,12R)-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-2,4-dicarboxylic acid
1beta,4a-dimethyl-8-methylidene-4aalpha,4bbeta-gibbane-1alpha,10beta-dicarboxylic acid
GA12
Gibberellin A12
Gibberellin-A-12
gibberellin 12

metacyc.compound:CPD1F-95
metacycM:CPD1F-95
UJFQJDAESQJXTG-UFUZVNNQSA-L 		gibberellin A12
C20 skeleton
C20-GA skeleton
C20-GAs
C20-gibberellin skeleton
GA12
open lactone gibberrellin skeleton

chebi:14301
chebi:29587
keggC:M_C11857
seedM:M_cpd08655
seedM:M_cpd22482 		secondary/obsolete/fantasy identifier