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1-O-p-Coumaroyl-(b-D-glucose 6-O-sulfate)

PropertiesImage
MNX_IDMNXM116017 Image of MNXM116017
referencechebi:168991
formulaC15H18O11S
global charge0
mol weight406.365
InChIKeyOMFHKRCSRGUKRK-ZZXKWVIFSA-N
InChIInChI=1S/C15H18O11S/c16-9-4-1-8(2-5-9)3-6-11(17)26-15-14(20)13(19)12(18)10(25-15)7-24-27(21,22)23/h1-6,10,12-16,18-20H,7H2,(H,21,22,23)/b6-3+
SMILESO=C(/C=C/C1=CC=C(O)C=C1)OC1OC(COS(=O)(=O)O)C(O)C(O)C1O
MNX internals
InChI (mnx)InChI=1/C15H18O11S/c16-9-4-1-8(2-5-9)3-6-11(17)26-15-14(20)13(19)12(18)10(25-15)7-24-27(21,22)23/h1-6,10,12-16,18-20H,7H2,(H,21,22,23)/b6-3+/t10?,12?,13?,14?,15? Image of MNXM116017
SMILES (mnx)[CH:1]1=[CH:4][C:9]([OH:16])=[CH:5][CH:2]=[C:8]1/[CH:3]=[CH:6]/[C:11](=[O:17])[O:26][CH:15]1[CH:14]([OH:20])[CH:13]([OH:19])[CH:12]([OH:18])[CH:10]([CH2:7][O:24][S:27]([OH:21])(=[O:22])=[O:23])[O:25]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:168991
chebi:168991
OMFHKRCSRGUKRK-ZZXKWVIFSA-N 		1-O-p-Coumaroyl-(b-D-glucose 6-O-sulfate)
[3,4,5-trihydroxy-6-(sulooxymethyl)oxan-2-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
hmdb:HMDB0041174
OMFHKRCSRGUKRK-ZZXKWVIFSA-N 		1-O-p-Coumaroyl-(b-D-glucose 6-O-sulfate)
(3,4,5-trihydroxy-6-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl)methoxysulfonic acid
1-O-p-Coumaroyl-(b-D-glucose 6-O-sulfuric acid)
1-O-p-Coumaroyl-(b-D-glucose 6-O-sulphate)
1-O-p-Coumaroyl-(b-D-glucose 6-O-sulphuric acid)
[(3,4,5-Trihydroxy-6-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl)methoxy]sulfonate
[(3,4,5-Trihydroxy-6-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl)methoxy]sulphonate
[(3,4,5-Trihydroxy-6-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl)methoxy]sulphonic acid
[(3,4,5-trihydroxy-6-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl)methoxy]sulfonic acid

hmdb:HMDB41174 		secondary/obsolete/fantasy identifier