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3',6-Disinapoylsucrose

Properties

Image

Occurences in reactions

MNX_ID

MNXM117144

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

formula

C₃₄H₄₂O₁₉

charge

mass

754.23203

reference

hmdb:HMDB0040838

InChIKey

FHIJMQWMMZEFBL-KQQUZDAGSA-N

InChI

InChI=1S/C34H42O19/c1-45-18-9-16(10-19(46-2)26(18)39)5-7-24(37)49-14-23-28(41)30(43)31(44)33(50-23)53-34(15-36)32(29(42)22(13-35)52-34)51-25(38)8-6-17-11-20(47-3)27(40)21(12-17)48-4/h5-12,22-23,28-33,35-36,39-44H,13-15H2,1-4H3/b7-5+,8-6+

SMILES

COc1cc(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3OC(=O)/C=C/c3cc(OC)c(O)c(OC)c3)C(O)C(O)C2O)cc(OC)c1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0040838	3',6-Disinapoylsucrose (3-Sinapoyl)fructofuranosyl-(6-sinapoyl)glucopyranoside 3,6'-Disinapoyl sucrose 3-SF-6-Sglu beta-D-(3-Sinapoyl)fructofuranosyl-alpha-D-(6-sinapoyl)glucopyranoside {3,4,5-trihydroxy-6-[(4-hydroxy-3-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}-2,5-bis(hydroxymethyl)oxolan-2-yl)oxy]oxan-2-yl}methyl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate {3,4,5-trihydroxy-6-[(4-hydroxy-3-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}-2,5-bis(hydroxymethyl)oxolan-2-yl)oxy]oxan-2-yl}methyl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid
hmdb:HMDB40838	secondary/obsolete/fantasy identifier