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curcumin 4'-O-beta-D-gentiotetraside

MNXM114662 is deprecated and here replaced by MNXM1364824
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1364824 Image of MNXM1364824
referencechebi:145773
formulaC45H60O26
global charge0
mol weight1016.949
InChIKeyVJNNWFJFCMKNOQ-IZQIZKJGSA-N
InChIInChI=1S/C45H60O26/c1-62-24-11-18(5-9-22(24)49)3-7-20(47)13-21(48)8-4-19-6-10-23(25(12-19)63-2)67-45-41(61)37(57)33(53)29(71-45)17-66-44-40(60)36(56)32(52)28(70-44)16-65-43-39(59)35(55)31(51)27(69-43)15-64-42-38(58)34(54)30(50)26(14-46)68-42/h3-12,26-46,49-61H,13-17H2,1-2H3/b7-3+,8-4+/t26-,27-,28-,29-,30-,31-,32-,33-,34+,35+,36+,37+,38-,39-,40-,41-,42-,43-,44-,45-/m1/s1
SMILESCOC1=C(O)C=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC(OC)=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C2)=C1
MNX internals
InChI (mnx)InChI=1/C45H60O26/c1-62-24-11-18(5-9-22(24)49)3-7-20(47)13-21(48)8-4-19-6-10-23(25(12-19)63-2)67-45-41(61)37(57)33(53)29(71-45)17-66-44-40(60)36(56)32(52)28(70-44)16-65-43-39(59)35(55)31(51)27(69-43)15-64-42-38(58)34(54)30(50)26(14-46)68-42/h3-12,26-46,49-61H,13-17H2,1-2H3/b7-3+,8-4+/t26-,27-,28-,29-,30-,31-,32-,33-,34+,35+,36+,37+,38-,39-,40-,41-,42-,43-,44-,45-/m1/s1 Image of MNXM1364824
SMILES (mnx)[CH3:1][O:62][C:24]1=[C:22]([OH:49])[CH:9]=[CH:5][C:18](/[CH:3]=[CH:7]/[C:20]([CH2:13][C:21](/[CH:8]=[CH:4]/[C:19]2=[CH:12][C:25]([O:63][CH3:2])=[C:23]([O:67][C@H:45]3[C@H:41]([OH:61])[C@@H:37]([OH:57])[C@H:33]([OH:53])[C@@H:29]([CH2:17][O:66][C@H:44]4[C@H:40]([OH:60])[C@@H:36]([OH:56])[C@H:32]([OH:52])[C@@H:28]([CH2:16][O:65][C@H:43]5[C@H:39]([OH:59])[C@@H:35]([OH:55])[C@H:31]([OH:51])[C@@H:27]([CH2:15][O:64][C@H:42]6[C@H:38]([OH:58])[C@@H:34]([OH:54])[C@H:30]([OH:50])[C@@H:26]([CH2:14][OH:46])[O:68]6)[O:69]5)[O:70]4)[O:71]3)[CH:10]=[CH:6]2)=[O:48])=[O:47])=[CH:11]1
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

CHEBI:145773
chebi:145773
VJNNWFJFCMKNOQ-IZQIZKJGSA-N 		curcumin 4'-O-beta-D-gentiotetraside
4-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dien-1-yl]-2-methoxyphenyl beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside

seed.compound:cpd35303
seedM:cpd35303
VJNNWFJFCMKNOQ-IZQIZKJGSA-N 		curcumin 4'-O-beta-D-gentiotetraside

seedM:M_cpd35303 		secondary/obsolete/fantasy identifier