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Tuberonic acid glucoside

MNXM95969 is deprecated and here replaced by MNXM741628
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM741628 Image of MNXM741628
referencekeggC:C08558
formulaC18H28O9
global charge0
mol weight388.413
InChIKeyJFDNMLUPLXZXGV-RKAGECJXSA-N
InChIInChI=1S/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22)/b2-1-/t10-,11-,13-,15-,16+,17-,18-/m1/s1
SMILESO=C(O)C[C@H]1CCC(=O)[C@@H]1C/C=C\CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22)/b2-1-/t10-,11-,13-,15-,16+,17-,18-/m1/s1 Image of MNXM741628
SMILES (mnx)[CH:1](=[CH:2]\[CH2:4][C@@H:11]1[C@@H:10]([CH2:8][C:14](=[O:21])[OH:22])[CH2:5][CH2:6][C:12]1=[O:20])\[CH2:3][CH2:7][O:26][C@H:18]1[C@H:17]([OH:25])[C@@H:16]([OH:24])[C@H:15]([OH:23])[C@@H:13]([CH2:9][OH:19])[O:27]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

kegg.compound:C08558
keggC:C08558
JFDNMLUPLXZXGV-RKAGECJXSA-N 		Tuberonic acid glucoside
12-Hydroxyjasmonic acid 12-O-beta-D-glucoside
hmdb:HMDB0301837
JFDNMLUPLXZXGV-RKAGECJXSA-N 		12-Hydroxyjasmonic acid glucoside
12-Hydroxyjasmonate glucoside
2-[(1R,2R)-3-oxo-2-[(2Z)-5-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-2-en-1-yl]cyclopentyl]acetate
2-[(1R,2R)-3-oxo-2-[(2Z)-5-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-2-en-1-yl]cyclopentyl]acetic acid
tuberonic acid glucoside

seed.compound:cpd05465
seedM:cpd05465
JFDNMLUPLXZXGV-RKAGECJXSA-M 		Tuberonic acid glucoside
12-hydroxyjasmonic acid 12-O-beta-D-glucoside
trans-12-hydroxyjasmonate 12-O-beta-D-glucoside
trans-tuberonic acid glucoside
tuberonic acid glucoside

metacyc.compound:CPD-11510
metacycM:CPD-11510
JFDNMLUPLXZXGV-RKAGECJXSA-M 		trans-tuberonic acid glucoside
trans-12-hydroxyjasmonate 12-O-beta-D-glucoside

keggC:M_C08558
seedM:M_cpd05465 		secondary/obsolete/fantasy identifier