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eupatolitin 3-glucoside

MNXM52966 is deprecated and here replaced by MNXM737778
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM737778 Image of MNXM737778
referencemetacycM:CPD-14911
formulaC23H24O13
global charge0
mol weight508.432
InChIKeyQJJFDGNJOXCQPD-XCSGUALTSA-N
InChIInChI=1S/C23H24O13/c1-32-12-6-11-14(16(28)21(12)33-2)17(29)22(20(34-11)8-3-4-9(25)10(26)5-8)36-23-19(31)18(30)15(27)13(7-24)35-23/h3-6,13,15,18-19,23-28,30-31H,7H2,1-2H3/t13-,15-,18+,19-,23+/m1/s1
SMILESCOC1=C(OC)C(O)=C2C(=O)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1
MNX internals
InChI (mnx)InChI=1/C23H24O13/c1-32-12-6-11-14(16(28)21(12)33-2)17(29)22(20(34-11)8-3-4-9(25)10(26)5-8)36-23-19(31)18(30)15(27)13(7-24)35-23/h3-6,13,15,18-19,23-28,30-31H,7H2,1-2H3/t13-,15-,18+,19-,23+/m1/s1 Image of MNXM737778
SMILES (mnx)[CH3:1][O:32][C:12]1=[C:21]([O:33][CH3:2])[C:16]([OH:28])=[C:14]2[C:11](=[CH:6]1)[O:34][C:20]([C:8]1=[CH:5][C:10]([OH:26])=[C:9]([OH:25])[CH:4]=[CH:3]1)=[C:22]([O:36][C@H:23]1[C@H:19]([OH:31])[C@@H:18]([OH:30])[C@H:15]([OH:27])[C@@H:13]([CH2:7][OH:24])[O:35]1)[C:17]2=[O:29]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-14911
metacycM:CPD-14911
QJJFDGNJOXCQPD-XCSGUALTSA-N 		eupatolitin 3-glucoside
eupatolitin 3-O-glucoside

lipidmaps:LMPK12112899
lipidmapsM:LMPK12112899
QJJFDGNJOXCQPD-XCSGUALTSA-N 		Eupatolitin 3-glucoside

seed.compound:cpd33975
seedM:cpd33975
QJJFDGNJOXCQPD-XCSGUALTSA-N 		eupatolitin 3-O-glucoside
eupatolitin 3-glucoside

seedM:M_cpd33975 		secondary/obsolete/fantasy identifier