Search MNXref
 Feedback

Gibberellin A4 glucosyl ester

PropertiesImage
MNX_IDMNXM126010 Image of MNXM126010
referencehmdb:HMDB0038610
formulaC25H34O10
global charge0
mol weight494.537
InChIKeyWAJNZXFSVANOAB-AIFFPGSYSA-N
InChIInChI=1S/C25H34O10/c1-10-7-24-8-11(10)3-4-13(24)25-6-5-14(27)23(2,22(32)35-25)19(25)15(24)20(31)34-21-18(30)17(29)16(28)12(9-26)33-21/h11-19,21,26-30H,1,3-9H2,2H3/t11-,12-,13-,14+,15-,16-,17+,18-,19-,21+,23?,24+,25-/m1/s1
SMILESC=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CC[C@H](O)C(C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C25H34O10/c1-10-7-24-8-11(10)3-4-13(24)25-6-5-14(27)23(2,22(32)35-25)19(25)15(24)20(31)34-21-18(30)17(29)16(28)12(9-26)33-21/h11-19,21,26-30H,1,3-9H2,2H3/t11-,12-,13-,14+,15-,16-,17+,18-,19-,21+,23?,24+,25-/m1/s1 Image of MNXM126010
SMILES (mnx)[CH2:1]=[C:10]1[CH2:7][C@:24]23[CH2:8][C@H:11]1[CH2:3][CH2:4][C@H:13]2[C@:25]12[CH2:6][CH2:5][C@H:14]([OH:27])[C:23]([CH3:2])([C@H:19]1[C@@H:15]3[C:20](=[O:31])[O:34][C@H:21]1[C@H:18]([OH:30])[C@@H:17]([OH:29])[C@H:16]([OH:28])[C@@H:12]([CH2:9][OH:26])[O:33]1)[C:22](=[O:32])[O:35]2
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
hmdb:HMDB0038610
WAJNZXFSVANOAB-AIFFPGSYSA-N
Gibberellin A4 glucosyl ester
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R,2R,5R,8R,9S,10R,11S,12S)-12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1^{5,8}.0^{1,10}.0^{2,8}]heptadecane-9-carboxylate
GA4 glucosyl ester

CHEBI:169637
chebi:169637
WAJNZXFSVANOAB-UHFFFAOYSA-N
Gibberellin A4 glucosyl ester
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylate

hmdb:HMDB38610
secondary/obsolete/fantasy identifier