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Ethyl 7-epi-12-hydroxyjasmonate glucoside

PropertiesImage
MNX_IDMNXM125511 Image of MNXM125511
referencechebi:168758
formulaC20H32O9
global charge0
mol weight416.467
InChIKeyDALGUVBWVCFIPV-ONEGZZNKSA-N
InChIInChI=1S/C20H32O9/c1-2-27-16(23)10-12-7-8-14(22)13(12)6-4-3-5-9-28-20-19(26)18(25)17(24)15(11-21)29-20/h3-4,12-13,15,17-21,24-26H,2,5-11H2,1H3/b4-3+
SMILESCCOC(=O)CC1CCC(=O)C1C/C=C/CCOC1OC(CO)C(O)C(O)C1O
MNX internals
InChI (mnx)InChI=1/C20H32O9/c1-2-27-16(23)10-12-7-8-14(22)13(12)6-4-3-5-9-28-20-19(26)18(25)17(24)15(11-21)29-20/h3-4,12-13,15,17-21,24-26H,2,5-11H2,1H3/b4-3+/t12?,13?,15?,17?,18?,19?,20? Image of MNXM125511
SMILES (mnx)[CH3:1][CH2:2][O:27][C:16]([CH2:10][CH:12]1[CH2:7][CH2:8][C:14](=[O:22])[CH:13]1[CH2:6]/[CH:4]=[CH:3]/[CH2:5][CH2:9][O:28][CH:20]1[CH:19]([OH:26])[CH:18]([OH:25])[CH:17]([OH:24])[CH:15]([CH2:11][OH:21])[O:29]1)=[O:23]
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:168758
chebi:168758
DALGUVBWVCFIPV-ONEGZZNKSA-N 		Ethyl 7-epi-12-hydroxyjasmonate glucoside
Ethyl {2-[(2E)-5-(hexopyranosyloxy)-2-penten-1-yl]-3-oxocyclopentyl}acetate
ethyl 2-[3-oxo-2-[(E)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetate
hmdb:HMDB0036340
DALGUVBWVCFIPV-ONEGZZNKSA-N 		Ethyl 7-epi-12-hydroxyjasmonate glucoside
Ethyl 2-{3-oxo-2-[(2E)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-2-en-1-yl]cyclopentyl}acetic acid
Ethyl 7-epi-12-hydroxyjasmonic acid glucoside
ethyl 2-{3-oxo-2-[(2E)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-2-en-1-yl]cyclopentyl}acetate

hmdb:HMDB36340 		secondary/obsolete/fantasy identifier