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(S)-2-trans-abscisic acid D-glucopyranosyl ester

PropertiesImage
MNX_IDMNXM174182 Image of MNXM174182
referencechebi:62438
formulaC21H30O9
global charge0
mol weight426.462
InChIKeyHLVPIMVSSMJFPS-SHYSOILJSA-N
InChIInChI=1S/C21H30O9/c1-11(5-6-21(28)12(2)8-13(23)9-20(21,3)4)7-15(24)30-19-18(27)17(26)16(25)14(10-22)29-19/h5-8,14,16-19,22,25-28H,9-10H2,1-4H3/b6-5+,11-7+/t14-,16-,17+,18-,19?,21-/m1/s1
SMILESCC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/C(=O)OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C21H30O9/c1-11(5-6-21(28)12(2)8-13(23)9-20(21,3)4)7-15(24)30-19-18(27)17(26)16(25)14(10-22)29-19/h5-8,14,16-19,22,25-28H,9-10H2,1-4H3/b6-5+,11-7+/t14-,16-,17+,18-,19?,21-/m1/s1 Image of MNXM174182
SMILES (mnx)[CH3:1][C:11](/[CH:5]=[CH:6]/[C@@:21]1([OH:28])[C:12]([CH3:2])=[CH:8][C:13](=[O:23])[CH2:9][C:20]1([CH3:3])[CH3:4])=[CH:7]\[C:15](=[O:24])[O:30][CH:19]1[C@H:18]([OH:27])[C@@H:17]([OH:26])[C@H:16]([OH:25])[C@@H:14]([CH2:10][OH:22])[O:29]1
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:62438
chebi:62438
HLVPIMVSSMJFPS-SHYSOILJSA-N 		(S)-2-trans-abscisic acid D-glucopyranosyl ester
1-O-{(2E,4S)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoyl}-D-glucopyranose
2-trans-(+)-ABA-GE

CHEBI:133910
chebi:133910
HLVPIMVSSMJFPS-JGYDSPBFSA-N 		2-trans-abscisic acid D-glucosyl ester
1-O-[(2E,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoyl]-D-glucopyranose
2-trans-abscisic acid D-glucopyranosyl ester
abscisic acid glucose ester