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trans-Caffeic acid [apiosyl-(1->6)-glucosyl] ester

PropertiesImage
MNX_IDMNXM144958 Image of MNXM144958
referencechebi:169593
formulaC20H26O13
global charge0
mol weight474.415
InChIKeyLULOGYYPGZOKQW-DUXPYHPUSA-N
InChIInChI=1S/C20H26O13/c21-7-20(29)8-31-19(17(20)28)30-6-12-14(25)15(26)16(27)18(32-12)33-13(24)4-2-9-1-3-10(22)11(23)5-9/h1-5,12,14-19,21-23,25-29H,6-8H2/b4-2+
SMILESO=C(/C=C/C1=CC(O)=C(O)C=C1)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O
MNX internals
InChI (mnx)InChI=1/C20H26O13/c21-7-20(29)8-31-19(17(20)28)30-6-12-14(25)15(26)16(27)18(32-12)33-13(24)4-2-9-1-3-10(22)11(23)5-9/h1-5,12,14-19,21-23,25-29H,6-8H2/b4-2+/t12?,14?,15?,16?,17?,18?,19?,20? Image of MNXM144958
SMILES (mnx)[CH:1]1=[CH:3][C:10]([OH:22])=[C:11]([OH:23])[CH:5]=[C:9]1/[CH:2]=[CH:4]/[C:13](=[O:24])[O:33][CH:18]1[CH:16]([OH:27])[CH:15]([OH:26])[CH:14]([OH:25])[CH:12]([CH2:6][O:30][CH:19]2[CH:17]([OH:28])[C:20]([CH2:7][OH:21])([OH:29])[CH2:8][O:31]2)[O:32]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:169593
chebi:169593
LULOGYYPGZOKQW-DUXPYHPUSA-N 		trans-Caffeic acid [apiosyl-(1->6)-glucosyl] ester
[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
hmdb:HMDB0033694
LULOGYYPGZOKQW-DUXPYHPUSA-N 		trans-Caffeic acid [apiosyl-(1->6)-glucosyl] ester
6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
trans-Caffeate [apiosyl-(1->6)-glucosyl] ester

hmdb:HMDB33694 		secondary/obsolete/fantasy identifier