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Gibberellin A38 glucosyl ester

PropertiesImage
MNX_IDMNXM126008 Image of MNXM126008
referencechebi:191414
formulaC26H36O11
global charge0
mol weight524.563
InChIKeyDDEBJBVQDFATPL-MRSAJBKRSA-N
InChIInChI=1S/C26H36O11/c1-11-7-25-9-26(11,34)6-3-13(25)24-5-4-14(28)23(2,22(33)35-10-24)19(24)15(25)20(32)37-21-18(31)17(30)16(29)12(8-27)36-21/h12-19,21,27-31,34H,1,3-10H2,2H3/t12-,13+,14+,15-,16-,17+,18-,19-,21+,23-,24-,25+,26+/m1/s1
SMILESC=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[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/C26H36O11/c1-11-7-25-9-26(11,34)6-3-13(25)24-5-4-14(28)23(2,22(33)35-10-24)19(24)15(25)20(32)37-21-18(31)17(30)16(29)12(8-27)36-21/h12-19,21,27-31,34H,1,3-10H2,2H3/t12-,13+,14+,15-,16-,17+,18-,19-,21+,23-,24-,25+,26+/m1/s1 Image of MNXM126008
SMILES (mnx)[CH2:1]=[C:11]1[CH2:7][C@:25]23[CH2:9][C@@:26]1([OH:34])[CH2:6][CH2:3][C@H:13]2[C@:24]12[CH2:5][CH2:4][C@H:14]([OH:28])[C@:23]([CH3:2])([C@H:19]1[C@@H:15]3[C:20](=[O:32])[O:37][C@H:21]1[C@H:18]([OH:31])[C@@H:17]([OH:30])[C@H:16]([OH:29])[C@@H:12]([CH2:8][OH:27])[O:36]1)[C:22](=[O:33])[O:35][CH2:10]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

CHEBI:191414
chebi:191414
DDEBJBVQDFATPL-MRSAJBKRSA-N
Gibberellin A38 glucosyl ester
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,5S,8S,9S,10S,11S,17S)-5,17-dihydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylate
hmdb:HMDB0036903
DDEBJBVQDFATPL-MRSAJBKRSA-N
Gibberellin A38 glucosyl ester
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R,2R,5S,8S,9S,10S,11S,17S)-5,17-dihydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.1^{5,8}.0^{1,10}.0^{2,8}]octadecane-9-carboxylate
GA38 glucosyl ester

hmdb:HMDB36903
secondary/obsolete/fantasy identifier