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curcumin 4',4''-O-beta-D-digentiobioside

Properties

Image

Occurences in reactions

MNX_ID

MNXM16931

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₄₅H₆₀O₂₆

charge

mass

1016.949

reference

metacycM:CPD-6626

InChIKey

QQCCVSOGYVAKGY-JAFZIODGSA-N

InChI

InChI=1S/C45H60O26/c1-62-24-11-18(5-9-22(24)66-44-40(60)36(56)32(52)28(70-44)16-64-42-38(58)34(54)30(50)26(14-46)68-42)3-7-20(48)13-21(49)8-4-19-6-10-23(25(12-19)63-2)67-45-41(61)37(57)33(53)29(71-45)17-65-43-39(59)35(55)31(51)27(15-47)69-43/h3-13,26-48,50-61H,14-17H2,1-2H3/b7-3+,8-4+,20-13-

SMILES

[CH3:1][O:62][c:24]1[cH:11][c:18](/[CH:3]=[CH:7]/[C:20](=[CH:13]/[C:21](/[CH:8]=[CH:4]/[c:19]2[cH:6][cH:10][c:23]([O:67][CH:45]3[CH:41]([OH:61])[CH:37]([OH:57])[CH:33]([OH:53])[CH:29]([CH2:17][O:65][CH:43]4[CH:39]([OH:59])[CH:35]([OH:55])[CH:31]([OH:51])[CH:27]([CH2:15][OH:47])[O:69]4)[O:71]3)[c:25]([O:63][CH3:2])[cH:12]2)=[O:49])[OH:48])[cH:5][cH:9][c:22]1[O:66][CH:44]1[CH:40]([OH:60])[CH:36]([OH:56])[CH:32]([OH:52])[CH:28]([CH2:16][O:64][CH:42]2[CH:38]([OH:58])[CH:34]([OH:54])[CH:30]([OH:50])[CH:26]([CH2:14][OH:46])[O:68]2)[O:70]1

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Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-6626 metacycM:CPD-6626 seed.compound:cpd24642 seedM:cpd24642	curcumin 4',4''-O-beta-D-digentiobioside
seedM:M_cpd24642	secondary/obsolete/fantasy identifier