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beta-Phenylethanol beta-D-rutinoside

PropertiesImage
MNX_IDMNXM129213 Image of MNXM129213
referencehmdb:HMDB0303058
formulaC20H30O10
global charge0
mol weight430.45
InChIKeyOKUGUNDXBGUFPA-OCGSKHJZSA-N
InChIInChI=1S/C20H30O10/c1-10-13(21)15(23)17(25)20(29-10)28-9-12-14(22)16(24)18(26)19(30-12)27-8-7-11-5-3-2-4-6-11/h2-6,10,12-26H,7-9H2,1H3/t10-,12+,13-,14+,15+,16-,17+,18+,19+,20+/m0/s1
SMILESC[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCC3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C20H30O10/c1-10-13(21)15(23)17(25)20(29-10)28-9-12-14(22)16(24)18(26)19(30-12)27-8-7-11-5-3-2-4-6-11/h2-6,10,12-26H,7-9H2,1H3/t10-,12+,13-,14+,15+,16-,17+,18+,19+,20+/m0/s1 Image of MNXM129213
SMILES (mnx)[CH3:1][C@H:10]1[C@H:13]([OH:21])[C@@H:15]([OH:23])[C@@H:17]([OH:25])[C@H:20]([O:28][CH2:9][C@@H:12]2[C@@H:14]([OH:22])[C@H:16]([OH:24])[C@@H:18]([OH:26])[C@H:19]([O:27][CH2:8][CH2:7][C:11]3=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]3)[O:30]2)[O:29]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
hmdb:HMDB0303058
OKUGUNDXBGUFPA-OCGSKHJZSA-N 		beta-Phenylethanol beta-D-rutinoside
(2S,3R,4R,5R,6R)-2-methyl-6-{[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy}oxane-3,4,5-triol
b-Phenylethanol b-D-rutinoside
beta-phenylethanol beta-D-rutinoside
hmdb:HMDB0032622
OKUGUNDXBGUFPA-UHFFFAOYSA-N 		Phenethyl rutinoside
1,2-Hexadecanediol
1,2-Hexadecanediol (8ci)(9ci)
2-methyl-6-{[3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy}oxane-3,4,5-triol
Cetyl glycol

CHEBI:167920
chebi:167920
OKUGUNDXBGUFPA-UHFFFAOYSA-N 		Phenethyl rutinoside
2-methyl-6-[[3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol

hmdb:HMDB32622 		secondary/obsolete/fantasy identifier