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Curcumin diglucoside

MNXM7210 is deprecated and here replaced by MNXM1108431
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1108431 Image of MNXM1108431
referencechebi:81315
formulaC33H40O16
global charge0
mol weight692.667
InChIKeyHQRWPYNQQYEQRQ-ORWZVCRDSA-N
InChIInChI=1S/C33H40O16/c1-44-22-11-16(5-9-20(22)46-32-30(42)28(40)26(38)24(14-34)48-32)3-7-18(36)13-19(37)8-4-17-6-10-21(23(12-17)45-2)47-33-31(43)29(41)27(39)25(15-35)49-33/h3-13,24-36,38-43H,14-15H2,1-2H3/b7-3+,8-4+,18-13-/t24-,25-,26-,27-,28+,29+,30-,31-,32-,33-/m1/s1
SMILESCOC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=CC(/C=C/C(=O)/C=C(O)/C=C/C2=CC(OC)=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C2)=C1
MNX internals
InChI (mnx)InChI=1/C33H40O16/c1-44-22-11-16(5-9-20(22)46-32-30(42)28(40)26(38)24(14-34)48-32)3-7-18(36)13-19(37)8-4-17-6-10-21(23(12-17)45-2)47-33-31(43)29(41)27(39)25(15-35)49-33/h3-13,24-36,38-43H,14-15H2,1-2H3/b7-3+,8-4+,18-13-/t24-,25-,26-,27-,28+,29+,30-,31-,32-,33-/m1/s1 Image of MNXM1108431
SMILES (mnx)[CH3:1][O:44][C:22]1=[C:20]([O:46][C@H:32]2[C@H:30]([OH:42])[C@@H:28]([OH:40])[C@H:26]([OH:38])[C@@H:24]([CH2:14][OH:34])[O:48]2)[CH:9]=[CH:5][C:16](/[CH:3]=[CH:7]/[C:18](=[CH:13]/[C:19](/[CH:8]=[CH:4]/[C:17]2=[CH:12][C:23]([O:45][CH3:2])=[C:21]([O:47][C@H:33]3[C@H:31]([OH:43])[C@@H:29]([OH:41])[C@H:27]([OH:39])[C@@H:25]([CH2:15][OH:35])[O:49]3)[CH:10]=[CH:6]2)=[O:37])[OH:36])=[CH:11]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

CHEBI:81315
chebi:81315
kegg.compound:C17750
keggC:C17750
HQRWPYNQQYEQRQ-ORWZVCRDSA-N 		Curcumin diglucoside

seed.compound:cpd17847
seedM:cpd17847
HQRWPYNQQYEQRQ-ORWZVCRDSA-N 		Curcumin diglucoside
QDG
curcumin diglucoside
hmdb:HMDB0304302
HQRWPYNQQYEQRQ-ORWZVCRDSA-N 		curcumin diglucoside
5-hydroxy-1,7-bis(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)hepta-1,4,6-trien-3-one

metacyc.compound:CPD-6623
metacycM:CPD-6623
HQRWPYNQQYEQRQ-ORWZVCRDSA-N 		curcumin diglucoside
QDG

keggC:M_C17750
seedM:M_cpd17847 		secondary/obsolete/fantasy identifier