• Data source

  • Data source type

  • Focused library

  • XSection

Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 106 results

Search term: DATA_SOURCE in ('Bovine Rumen Metabolome Database')
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
913


InChI=1/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
C6H5NO2123.1094235244978871123
730


InChI=1/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
C2H5NO275.066622225745426557618
1141


InChI=1/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
C4H4N2O2112.0868215441478742034
1091


InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
C2H7NO3S125.146920962829384486
1078


InChI=1/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
C4H6O4118.088205177617102979
124


InChI=1/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
C8H8O3152.147320448022247
1103


InChI=1/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
C5H6N2O2126.1133200429574232212
1057


InChI=1/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
C3H7NO289.09321988871191766
768


InChI=1/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
C5H4N4O136.111519745198217685
776


InChI=1/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
C8H7N117.14791936194146396641
2424


InChI=1/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
C8H10N4O2194.190619312953197792470
6066


1 of 1 defined stereocentres - 1/1 defined
InChI=1/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
C11H12N2O2204.2252193723340133806
5735


1 of 1 defined stereocentres - 1/1 defined
InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
C3H7NO289.093219026796536455625
128566


1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
C5H9NO2115.130518911955284803548
1151


InChI=1/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
C5H4N4O2152.11091877552130141663
10181339


InChI=1/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
C9H10O2150.1745186515204294
753

InChI=1/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
C5H9N3111.145118432078502482508
5091


InChI=1/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
C18H36O2284.4772183260734412413
5746


1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
C5H10N2O3146.1445182438256021752
733


InChI=1/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
C3H8O392.093818233268352539424
12345

Advertisement