Search MNXref
**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**
 Feedback

Phenylbutazone O-glucuronide

PropertiesImage
MNX_IDMNXM1596000 Image of MNXM1596000
referencevmhM:phenog
vmhM:phenog
formulaC25H27N2O8
global charge-1
mol weight483.497
InChIKeyJUUHSMVQIMVDDJ-ZUYQITAWSA-M
InChIInChI=1S/C25H28N2O8/c1-2-3-14-17-21(30)26(15-10-6-4-7-11-15)27(16-12-8-5-9-13-16)22(17)34-25-18(23(31)32)19(28)20(29)24(33)35-25/h4-13,18-20,24-25,28-29,33H,2-3,14H2,1H3,(H,31,32)/p-1/t18-,19+,20-,24-,25?/m1/s1
SMILESCCCCc1c(OC2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2C(=O)[O-])n(-c2ccccc2)n(-c2ccccc2)c1=O
MNX internals
InChI (mnx)InChI=1/C25H28N2O8/c1-2-3-14-17-21(30)26(15-10-6-4-7-11-15)27(16-12-8-5-9-13-16)22(17)34-25-18(23(31)32)19(28)20(29)24(33)35-25/h4-13,18-20,24-25,28-29,33H,2-3,14H2,1H3,(H,31,32)/t18-,19+,20-,24-,25?/m1/s1 Image of MNXM1596000
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:14][c:17]1[c:21](=[O:30])[n:26](-[c:15]2[cH:10][cH:6][cH:4][cH:7][cH:11]2)[n:27](-[c:16]2[cH:12][cH:8][cH:5][cH:9][cH:13]2)[c:22]1[O:34][CH:25]1[C@@H:18]([C:23](=[O:31])[OH:32])[C@H:19]([OH:28])[C@@H:20]([OH:29])[C@H:24]([OH:33])[O:35]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

vmhM:phenog
vmhM:phenog
vmhmetabolite:phenog
vmhmetabolite:phenog
JUUHSMVQIMVDDJ-ZUYQITAWSA-M 		Phenylbutazone O-glucuronide

vmhM:M_phenog 		secondary/obsolete/fantasy identifier