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gibberellin A68

PropertiesImage
MNX_IDMNXM126027 Image of MNXM126027
referencechebi:142006
formulaC19H22O6
global charge0
mol weight346.379
InChIKeyZKSDYVWXHSIQFM-ZUJRJSPDSA-N
InChIInChI=1S/C19H22O6/c1-8-9-3-4-10-18(7-9,14(8)21)12(15(22)23)13-17(2)11(20)5-6-19(10,13)25-16(17)24/h5-6,9-14,20-21H,1,3-4,7H2,2H3,(H,22,23)/t9-,10-,11+,12-,13-,14-,17-,18-,19-/m1/s1
SMILESC=C1[C@@H]2CC[C@H]3[C@@]45C=C[C@H](O)[C@@](C)(C(=O)O4)[C@H]5[C@H](C(=O)O)[C@]3(C2)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C19H22O6/c1-8-9-3-4-10-18(7-9,14(8)21)12(15(22)23)13-17(2)11(20)5-6-19(10,13)25-16(17)24/h5-6,9-14,20-21H,1,3-4,7H2,2H3,(H,22,23)/t9-,10-,11+,12-,13-,14-,17-,18-,19-/m1/s1 Image of MNXM126027
SMILES (mnx)[CH2:1]=[C:8]1[C@@H:9]2[CH2:3][CH2:4][C@@H:10]3[C@:18]([CH2:7]2)([C@@H:12]([C:15](=[O:22])[OH:23])[C@@H:13]2[C@@:17]4([CH3:2])[C@@H:11]([OH:20])[CH:5]=[CH:6][C@@:19]32[O:25][C:16]4=[O:24])[C@@H:14]1[OH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:142006
chebi:142006
ZKSDYVWXHSIQFM-ZUJRJSPDSA-N 		gibberellin A68
(1S,2S,4aR,4bR,7R,9R,9aR,10S,10aR)-2,9-dihydroxy-1-methyl-8-methylene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
(1S,2S,4aR,4bR,7R,9R,9aR,10S,10aR)-2,9-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
2beta,9beta-dihydroxy-1beta-methyl-8-methylidene-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibb-3-ene-10beta-carboxylic acid
ent-3alpha,10beta,15alpha-trihydroxy-20-norgibberella-1,16-diene-7,19-dioic acid 19,10-lactone
hmdb:HMDB0035609
ZKSDYVWXHSIQFM-BOYZIHFGSA-N 		Gibberellin A68
(1R,2R,5R,7R,8R,9S,10R,11S,12S)-7,12-dihydroxy-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
(1S,2S,4AR,4BR,7R,9R,9ar,10S,10ar)-2,9-dihydroxy-1-methyl-8-methylene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylate
(1S,2S,4AR,4BR,7R,9R,9ar,10S,10ar)-2,9-dihydroxy-1-methyl-8-methylene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
GA68
ent-3a,10b,15a-Trihydroxy-20-norgibberella-1,16-diene-7,19-dioate 19,10-lactone
ent-3a,10b,15a-Trihydroxy-20-norgibberella-1,16-diene-7,19-dioic acid 19,10-lactone
ent-3alpha,10beta,15alpha-Trihydroxy-20-norgibberella-1,16-diene-7,19-dioate 19,10-lactone
ent-3alpha,10beta,15alpha-Trihydroxy-20-norgibberella-1,16-diene-7,19-dioic acid 19,10-lactone
ent-3alpha,10beta,15alpha-trihydroxy-20-norgibberella-1,16-diene-7,19-dioate 19,10-lactone
ent-3alpha,10beta,15alpha-trihydroxy-20-norgibberella-1,16-diene-7,19-dioic acid 19,10-lactone

hmdb:HMDB35609 		secondary/obsolete/fantasy identifier