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Cis-Ferulic acid [arabinosyl-(1->3)-[glucosyl-(1->6)]-glucosyl] ester

PropertiesImage
MNX_IDMNXM120603 Image of MNXM120603
referencechebi:190818
formulaC27H38O18
global charge0
mol weight650.583
InChIKeyLUBIAXCXQXWFFZ-HYXAFXHYSA-N
InChIInChI=1S/C27H38O18/c1-39-12-6-10(2-4-11(12)30)3-5-16(31)44-27-23(38)24(45-26-21(36)18(33)14(8-29)42-26)19(34)15(43-27)9-40-25-22(37)20(35)17(32)13(7-28)41-25/h2-6,13-15,17-30,32-38H,7-9H2,1H3/b5-3-
SMILESCOC1=C(O)C=CC(/C=C\C(=O)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(OC3OC(CO)C(O)C3O)C2O)=C1
MNX internals
InChI (mnx)InChI=1/C27H38O18/c1-39-12-6-10(2-4-11(12)30)3-5-16(31)44-27-23(38)24(45-26-21(36)18(33)14(8-29)42-26)19(34)15(43-27)9-40-25-22(37)20(35)17(32)13(7-28)41-25/h2-6,13-15,17-30,32-38H,7-9H2,1H3/b5-3-/t13?,14?,15?,17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27? Image of MNXM120603
SMILES (mnx)[CH3:1][O:39][C:12]1=[C:11]([OH:30])[CH:4]=[CH:2][C:10](/[CH:3]=[CH:5]\[C:16](=[O:31])[O:44][CH:27]2[CH:23]([OH:38])[CH:24]([O:45][CH:26]3[CH:21]([OH:36])[CH:18]([OH:33])[CH:14]([CH2:8][OH:29])[O:42]3)[CH:19]([OH:34])[CH:15]([CH2:9][O:40][CH:25]3[CH:22]([OH:37])[CH:20]([OH:35])[CH:17]([OH:32])[CH:13]([CH2:7][OH:28])[O:41]3)[O:43]2)=[CH:6]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:190818
chebi:190818
LUBIAXCXQXWFFZ-HYXAFXHYSA-N 		Cis-Ferulic acid [arabinosyl-(1->3)-[glucosyl-(1->6)]-glucosyl] ester
[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
hmdb:HMDB0034682
LUBIAXCXQXWFFZ-HYXAFXHYSA-N 		cis-Ferulic acid [arabinosyl-(1->3)-[glucosyl-(1->6)]-glucosyl] ester
4-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
4-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
cis-Ferulate [arabinosyl-(1->3)-[glucosyl-(1->6)]-glucosyl] ester

hmdb:HMDB34682 		secondary/obsolete/fantasy identifier