Feedback

2-Phenylethanol glucuronide

Properties

Image

Occurences in reactions

MNX_ID

MNXM35422

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₄H₁₈O₇

charge

mass

298.10525

reference

InChIKey

HIXLLXLCNONZRH-BYNIDDHOSA-N

InChI

InChI=1S/C14H18O7/c15-9-10(16)12(13(18)19)21-14(11(9)17)20-7-6-8-4-2-1-3-5-8/h1-5,9-12,14-17H,6-7H2,(H,18,19)/t9-,10-,11+,12-,14+/m0/s1

SMILES

O=C(O)[C@H]1O[C@@H](OCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:167579 chebi:167579	2-Phenylethanol glucuronide (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-phenylethoxy)oxane-2-carboxylic acid
hmdb:HMDB0010350	2-Phenylethanol glucuronide (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-(2-phenylethoxy)oxane-2-carboxylate (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-phenylethoxy)oxane-2-carboxylic acid 2-Phenylethanol glucuronoside
hmdb:HMDB10350	secondary/obsolete/fantasy identifier