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gibberellin A45

PropertiesImage
MNX_IDMNXM126011 Image of MNXM126011
referencechebi:142003
formulaC19H24O5
global charge0
mol weight332.396
InChIKeyMBNDVMTZEKAWKP-CFHXUCNZSA-N
InChIInChI=1S/C19H24O5/c1-9-10-4-5-11-18(8-10,14(9)20)12(15(21)22)13-17(2)6-3-7-19(11,13)24-16(17)23/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12-,13-,14-,17-,18-,19-/m1/s1
SMILESC=C1[C@@H]2CC[C@H]3[C@@]45CCC[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/C19H24O5/c1-9-10-4-5-11-18(8-10,14(9)20)12(15(21)22)13-17(2)6-3-7-19(11,13)24-16(17)23/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12-,13-,14-,17-,18-,19-/m1/s1 Image of MNXM126011
SMILES (mnx)[CH2:1]=[C:9]1[C@@H:10]2[CH2:4][CH2:5][C@@H:11]3[C@:18]([CH2:8]2)([C@@H:12]([C:15](=[O:21])[OH:22])[C@@H:13]2[C@@:17]4([CH3:2])[CH2:6][CH2:3][CH2:7][C@@:19]32[O:24][C:16]4=[O:23])[C@@H:14]1[OH:20]
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:142003
chebi:142003
MBNDVMTZEKAWKP-CFHXUCNZSA-N 		gibberellin A45
(1R,4aR,4bR,7R,9R,9aR,10S,10aR)-9-hydroxy-1-methyl-8-methylene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
(1R,4aR,4bR,7R,9R,9aR,10S,10aR)-9-hydroxy-1-methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
9beta-hydroxy-1beta-methyl-8-methylidene-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibbane-10beta-carboxylic acid
GA45
ent-10,15alpha-dihydroxy-20-norgibberell-16-ene-7,19-dioic acid 19,10-lactone
hmdb:HMDB0035042
MBNDVMTZEKAWKP-CFHXUCNZSA-N 		Gibberellin A45
(1R,2R,5R,7R,8R,9S,10R,11R)-7-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1^{5,8}.0^{1,10}.0^{2,8}]heptadecane-9-carboxylic acid
(1R,4AR,4BR,7R,9R,9ar,10S,10ar)-9-hydroxy-1-methyl-8-methylene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylate
(1R,4AR,4BR,7R,9R,9ar,10S,10ar)-9-hydroxy-1-methyl-8-methylene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
GA45
ent-10,15a-Dihydroxy-20-norgibberell-16-ene-7,19-dioate 19,10-lactone
ent-10,15a-Dihydroxy-20-norgibberell-16-ene-7,19-dioic acid 19,10-lactone
ent-10,15alpha-Dihydroxy-20-norgibberell-16-ene-7,19-dioate 19,10-lactone
ent-10,15alpha-Dihydroxy-20-norgibberell-16-ene-7,19-dioic acid 19,10-lactone
ent-10,15alpha-dihydroxy-20-norgibberell-16-ene-7,19-dioate 19,10-lactone
ent-10,15alpha-dihydroxy-20-norgibberell-16-ene-7,19-dioic acid 19,10-lactone

hmdb:HMDB35042 		secondary/obsolete/fantasy identifier