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gibberellin A14

PropertiesImage
MNX_IDMNXM3604 Image of MNXM3604
referencechebi:143961
formulaC20H26O5
global charge-2
mol weight346.423
InChIKeyNJEWNTGSXKRWKA-MJPABCAUSA-L
InChIInChI=1S/C20H28O5/c1-10-8-20-9-11(10)4-5-12(20)18(2)7-6-13(21)19(3,17(24)25)15(18)14(20)16(22)23/h11-15,21H,1,4-9H2,2-3H3,(H,22,23)(H,24,25)/p-2/t11-,12+,13+,14-,15+,18+,19-,20+/m1/s1
SMILESC=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CC[C@H](O)[C@@](C)(C(=O)[O-])[C@H]1[C@@H]3C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C20H28O5/c1-10-8-20-9-11(10)4-5-12(20)18(2)7-6-13(21)19(3,17(24)25)15(18)14(20)16(22)23/h11-15,21H,1,4-9H2,2-3H3,(H,22,23)(H,24,25)/t11-,12+,13+,14-,15+,18+,19-,20+/m1/s1 Image of MNXM3604
SMILES (mnx)[CH2:1]=[C:10]1[CH2:8][C@:20]23[CH2:9][C@H:11]1[CH2:4][CH2:5][C@H:12]2[C@:18]1([CH3:2])[CH2:7][CH2:6][C@H:13]([OH:21])[C@@:19]([CH3:3])([C:17](=[O:24])[OH:25])[C@H:15]1[C@@H:14]3[C:16](=[O:22])[OH:23]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)13
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:143961
chebi:143961
NJEWNTGSXKRWKA-MJPABCAUSA-L 		gibberellin A14
gibberellin A14(2-)

kegg.compound:C11858
keggC:C11858
lipidmaps:LMPR0104170015
lipidmapsM:LMPR0104170015
NJEWNTGSXKRWKA-MJPABCAUSA-N 		Gibberellin A14

seed.compound:cpd08656
seedM:cpd08656
NJEWNTGSXKRWKA-MJPABCAUSA-L 		Gibberellin A14
GA14
gibberellin A14

CHEBI:29588
chebi:29588
NJEWNTGSXKRWKA-MJPABCAUSA-N 		gibberellin A14
(1R,2S,3S,4S,5S,8S,9S,12R)-5-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-2,4-dicarboxylic acid
2beta-hydroxy-1beta,4a-dimethyl-8-methylidene-4aalpha,4bbeta-gibbane-1alpha,10beta-dicarboxylic acid
GA14
Gibberellin A14
ent-3alpha-hydroxygibberell-16-ene-7,9-dioic acid
gibberellin 14

metacyc.compound:CPD-6228
metacycM:CPD-6228
NJEWNTGSXKRWKA-MJPABCAUSA-L 		gibberellin A14
GA14

keggC:M_C11858
seedM:M_cpd08656 		secondary/obsolete/fantasy identifier