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(2R)-2-Hydroxy-2-phenylethyl glucosinolate

PropertiesImage
MNX_IDMNXM114984 Image of MNXM114984
referencechebi:189879
formulaC15H21NO10S2
global charge0
mol weight439.464
InChIKeyGAPDDBFHNYHZIS-LFIBNONCSA-N
InChIInChI=1S/C15H21NO10S2/c17-7-10-12(19)13(20)14(21)15(25-10)27-11(16-26-28(22,23)24)6-9(18)8-4-2-1-3-5-8/h1-5,9-10,12-15,17-21H,6-7H2,(H,22,23,24)/b16-11+
SMILESO=S(=O)(O)O/N=C(\CC(O)C1=CC=CC=C1)SC1OC(CO)C(O)C(O)C1O
MNX internals
InChI (mnx)InChI=1/C15H21NO10S2/c17-7-10-12(19)13(20)14(21)15(25-10)27-11(16-26-28(22,23)24)6-9(18)8-4-2-1-3-5-8/h1-5,9-10,12-15,17-21H,6-7H2,(H,22,23,24)/b16-11+/t9?,10?,12?,13?,14?,15? Image of MNXM114984
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:8]([CH:9]([CH2:6]/[C:11](=[N:16]\[O:26][S:28]([OH:22])(=[O:23])=[O:24])[S:27][CH:15]2[CH:14]([OH:21])[CH:13]([OH:20])[CH:12]([OH:19])[CH:10]([CH2:7][OH:17])[O:25]2)[OH:18])[CH:5]=[CH:3]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:189879
chebi:189879
GAPDDBFHNYHZIS-LFIBNONCSA-N 		(2R)-2-Hydroxy-2-phenylethyl glucosinolate
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-3-hydroxy-3-phenyl-N-sulooxypropanimidothioate
hmdb:HMDB0037205
GAPDDBFHNYHZIS-LFIBNONCSA-N 		(2R)-2-Hydroxy-2-phenylethyl glucosinolate
(2R)-2-Hydroxy-2-phenylethyl glucosinolic acid
[(E)-(3-hydroxy-3-phenyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}propylidene)amino]oxysulfonic acid
{[(E)-(3-hydroxy-3-phenyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}propylidene)amino]oxy}sulfonic acid
{[(e)-(3-hydroxy-3-phenyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}propylidene)amino]oxy}sulfonate
{[(e)-(3-hydroxy-3-phenyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}propylidene)amino]oxy}sulphonate
{[(e)-(3-hydroxy-3-phenyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}propylidene)amino]oxy}sulphonic acid

hmdb:HMDB37205 		secondary/obsolete/fantasy identifier