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(2R)-2-Hydroxy-2-(4-hydroxyphenyl)ethyl glucosinolate

PropertiesImage
MNX_IDMNXM114983 Image of MNXM114983
referencehmdb:HMDB0037132
formulaC15H21NO11S2
global charge0
mol weight455.463
InChIKeyKSAPVDOWZWODPA-LFIBNONCSA-N
InChIInChI=1S/C15H21NO11S2/c17-6-10-12(20)13(21)14(22)15(26-10)28-11(16-27-29(23,24)25)5-9(19)7-1-3-8(18)4-2-7/h1-4,9-10,12-15,17-22H,5-6H2,(H,23,24,25)/b16-11+
SMILESO=S(=O)(O)O/N=C(\CC(O)C1=CC=C(O)C=C1)SC1OC(CO)C(O)C(O)C1O
MNX internals
InChI (mnx)InChI=1/C15H21NO11S2/c17-6-10-12(20)13(21)14(22)15(26-10)28-11(16-27-29(23,24)25)5-9(19)7-1-3-8(18)4-2-7/h1-4,9-10,12-15,17-22H,5-6H2,(H,23,24,25)/b16-11+/t9?,10?,12?,13?,14?,15? Image of MNXM114983
SMILES (mnx)[CH:1]1=[CH:3][C:8]([OH:18])=[CH:4][CH:2]=[C:7]1[CH:9]([CH2:5]/[C:11](=[N:16]\[O:27][S:29]([OH:23])(=[O:24])=[O:25])[S:28][CH:15]1[CH:14]([OH:22])[CH:13]([OH:21])[CH:12]([OH:20])[CH:10]([CH2:6][OH:17])[O:26]1)[OH:19]
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
hmdb:HMDB0037132
KSAPVDOWZWODPA-LFIBNONCSA-N 		(2R)-2-Hydroxy-2-(4-hydroxyphenyl)ethyl glucosinolate
(2R)-2-Hydroxy-2-(4-hydroxyphenyl)ethyl glucosinolic acid
[(E)-[3-hydroxy-3-(4-hydroxyphenyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}propylidene]amino]oxysulfonic acid
{[(E)-[3-hydroxy-3-(4-hydroxyphenyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}propylidene]amino]oxy}sulfonic acid
{[(e)-[3-hydroxy-3-(4-hydroxyphenyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}propylidene]amino]oxy}sulfonate
{[(e)-[3-hydroxy-3-(4-hydroxyphenyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}propylidene]amino]oxy}sulphonate
{[(e)-[3-hydroxy-3-(4-hydroxyphenyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}propylidene]amino]oxy}sulphonic acid

hmdb:HMDB37132 		secondary/obsolete/fantasy identifier