| 20X | Name: | N-({(2E)-2-[(4-fluorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine | Formula: | C14 H18 F N3 O5 S | SMILES: | S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccc(F)cc2 | InChi: | InChI=1S/C14H18FN3O5S/c15-8-3-1-7(2-4-8)5-16-18-14(24)17-13-12(22)11(21)10(20)9(6-19)23-13/h1-5,9-13,19-22H,6H2,(H2,17,18,24)/b16-5+/t9-,10-,11+,12-,13-/m1/s1 | Synonyms: | 4-fluorobenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone | Definition date: | 2010-04-30 | Last modified: | 2020-07-17 | Identifier: | N-{[(2E)-2-(4-fluorobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine |
|
| 22O | Name: | N-({(2E)-2-[(3-bromophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine | Formula: | C14 H18 Br N3 O5 S | SMILES: | S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2cccc(Br)c2 | InChi: | InChI=1S/C14H18BrN3O5S/c15-8-3-1-2-7(4-8)5-16-18-14(24)17-13-12(22)11(21)10(20)9(6-19)23-13/h1-5,9-13,19-22H,6H2,(H2,17,18,24)/b16-5+/t9-,10-,11+,12-,13-/m1/s1 | Synonyms: | 3-bromobenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone | Definition date: | 2010-05-03 | Last modified: | 2020-07-17 | Identifier: | N-{[(2E)-2-(3-bromobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine |
|
| 22S | Name: | N-({(2E)-2-[(2-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine | Formula: | C14 H18 Cl N3 O5 S | SMILES: | S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccccc2Cl | InChi: | InChI=1S/C14H18ClN3O5S/c15-8-4-2-1-3-7(8)5-16-18-14(24)17-13-12(22)11(21)10(20)9(6-19)23-13/h1-5,9-13,19-22H,6H2,(H2,17,18,24)/b16-5+/t9-,10-,11+,12-,13-/m1/s1 | Synonyms: | 2-chlorobenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone | Definition date: | 2010-04-30 | Last modified: | 2020-07-17 | Identifier: | N-{[(2E)-2-(2-chlorobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine |
|
| 23V | Name: | N-({(2E)-2-[(3-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine | Formula: | C14 H18 Cl N3 O5 S | SMILES: | S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2cccc(Cl)c2 | InChi: | InChI=1S/C14H18ClN3O5S/c15-8-3-1-2-7(4-8)5-16-18-14(24)17-13-12(22)11(21)10(20)9(6-19)23-13/h1-5,9-13,19-22H,6H2,(H2,17,18,24)/b16-5+/t9-,10-,11+,12-,13-/m1/s1 | Synonyms: | 3-chlorobenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone | Definition date: | 2010-05-03 | Last modified: | 2020-07-17 | Identifier: | N-{[(2E)-2-(3-chlorobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine |
|
| ONN | Name: | 2-[2-[[[(4~{R},8~{S},11~{S})-11-azanyl-8-[(4-hydroxyphenyl)methyl]-6,10-bis(oxidanylidene)-1,2-dithia-5,9-diazacyclotridec-4-yl]carbonylamino]methyl]phenyl]ethanoic acid | Formula: | C26 H32 N4 O6 S2 | SMILES: | N[CH]1CCSSC[CH](NC(=O)C[CH](Cc2ccc(O)cc2)NC1=O)C(=O)NCc3ccccc3CC(O)=O | InChi: | InChI=1S/C26H32N4O6S2/c27-21-9-10-37-38-15-22(26(36)28-14-18-4-2-1-3-17(18)12-24(33)34)30-23(32)13-19(29-25(21)35)11-16-5-7-20(31)8-6-16/h1-8,19,21-22,31H,9-15,27H2,(H,28,36)(H,29,35)(H,30,32)(H,33,34)/t19-,21-,22-/m0/s1 | Definition date: | 2020-03-21 | Last modified: | 2020-07-17 | Release date: | 2020-07-22 | Identifier: | 2-[2-[[[(4~{R},8~{S},11~{S})-11-azanyl-8-[(4-hydroxyphenyl)methyl]-6,10-bis(oxidanylidene)-1,2-dithia-5,9-diazacyclotridec-4-yl]carbonylamino]methyl]phenyl]ethanoic acid |
|
| 24S | Name: | N-({(2Z)-2-[(2-nitrophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine | Formula: | C14 H18 N4 O7 S | SMILES: | S=C(NC1OC(C(O)C(O)C1O)CO)N/N=Cc2ccccc2[N+]([O-])=O | InChi: | InChI=1S/C14H18N4O7S/c19-6-9-10(20)11(21)12(22)13(25-9)16-14(26)17-15-5-7-3-1-2-4-8(7)18(23)24/h1-5,9-13,19-22H,6H2,(H2,16,17,26)/b15-5-/t9-,10-,11+,12-,13-/m1/s1 | Synonyms: | 2-nitrobenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone | Definition date: | 2010-05-03 | Last modified: | 2020-07-17 | Identifier: | N-{[(2Z)-2-(2-nitrobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine |
|
| 25E | Name: | N-({(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine | Formula: | C14 H19 N3 O6 S | SMILES: | S=C(NC1OC(C(O)C(O)C1O)CO)N/N=Cc2ccc(O)cc2 | InChi: | InChI=1S/C14H19N3O6S/c18-6-9-10(20)11(21)12(22)13(23-9)16-14(24)17-15-5-7-1-3-8(19)4-2-7/h1-5,9-13,18-22H,6H2,(H2,16,17,24)/b15-5-/t9-,10-,11+,12-,13-/m1/s1 | Synonyms: | 4-hydroxybenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone | Definition date: | 2010-05-03 | Last modified: | 2020-07-17 | Identifier: | N-{[(2Z)-2-(4-hydroxybenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine |
|
| OPM | Name: | pentyl alpha-D-mannopyranoside | Formula: | C11 H22 O6 | SMILES: | O(CCCCC)C1OC(C(O)C(O)C1O)CO | InChi: | InChI=1S/C11H22O6/c1-2-3-4-5-16-11-10(15)9(14)8(13)7(6-12)17-11/h7-15H,2-6H2,1H3/t7-,8-,9+,10+,11+/m1/s1 | Synonyms: | O1-PENTYL-MANNOSE | Definition date: | 2002-07-10 | Last modified: | 2020-07-17 | Identifier: | pentyl alpha-D-mannopyranoside |
|
| 26O | Name: | N-({(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine | Formula: | C14 H19 N3 O6 S | SMILES: | S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccccc2O | InChi: | InChI=1S/C14H19N3O6S/c18-6-9-10(20)11(21)12(22)13(23-9)16-14(24)17-15-5-7-3-1-2-4-8(7)19/h1-5,9-13,18-22H,6H2,(H2,16,17,24)/b15-5+/t9-,10-,11+,12-,13-/m1/s1 | Synonyms: | 2-hydroxybenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone | Definition date: | 2010-06-07 | Last modified: | 2020-07-17 | Identifier: | N-{[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine |
|
| 27C | Name: | 5-O-[(S)-butoxy(hydroxy)phosphoryl]-2-deoxy-2-fluoro-alpha-D-arabinofuranose | Formula: | C9 H18 F O7 P | SMILES: | FC1C(O)C(OC1O)COP(=O)(OCCCC)O | InChi: | InChI=1S/C9H18FO7P/c1-2-3-4-15-18(13,14)16-5-6-8(11)7(10)9(12)17-6/h6-9,11-12H,2-5H2,1H3,(H,13,14)/t6-,7+,8-,9+/m1/s1 | Synonyms: | Inhibitor CZ-27 based on arabinosyl-2-fluoro-2-deoxynicotinamide mononucleotide, bound form | Definition date: | 2011-05-11 | Last modified: | 2020-07-17 | Identifier: | 5-O-[(S)-butoxy(hydroxy)phosphoryl]-2-deoxy-2-fluoro-alpha-D-arabinofuranose |
|
| OSU | Name: | N-OCTANOYLSUCROSE | Formula: | C20 H36 O12 | SMILES: | O=C(OCC2OC(OC1OC(CO)C(O)C(O)C1O)(C(O)C2O)CO)CCCCCCC | InChi: | InChI=1S/C20H36O12/c1-2-3-4-5-6-7-13(23)29-9-12-15(25)18(28)20(10-22,31-12)32-19-17(27)16(26)14(24)11(8-21)30-19/h11-12,14-19,21-22,24-28H,2-10H2,1H3/t11-,12-,14-,15-,16+,17-,18+,19-,20+/m1/s1 | Synonyms: | N-OCTANOYL-B-D-FRUCTOFURANOSYL-A-D-GLUCOPYRANOSIDE | Definition date: | 2003-07-14 | Last modified: | 2020-07-17 | Identifier: | 6-O-octanoyl-beta-D-fructofuranosyl alpha-D-glucopyranoside |
|
| OTG | Name: | 2-deoxy-2-{[(2-methylphenyl)carbonyl]amino}-alpha-D-glucopyranose | Formula: | C14 H19 N O6 | SMILES: | O=C(NC1C(O)C(O)C(OC1O)CO)c2ccccc2C | InChi: | InChI=1S/C14H19NO6/c1-7-4-2-3-5-8(7)13(19)15-10-12(18)11(17)9(6-16)21-14(10)20/h2-5,9-12,14,16-18,20H,6H2,1H3,(H,15,19)/t9-,10-,11-,12-,14+/m1/s1 | Synonyms: | ORTHO-TOLUOYLGLUCOSAMINE | Definition date: | 1999-07-08 | Last modified: | 2020-07-17 | Identifier: | 2-deoxy-2-{[(2-methylphenyl)carbonyl]amino}-alpha-D-glucopyranose |
|
| OTN | Name: | 2-nitrophenyl 1-thio-beta-D-galactopyranoside | Formula: | C12 H15 N O7 S | SMILES: | [O-][N+](=O)c2c(SC1OC(C(O)C(O)C1O)CO)cccc2 | InChi: | InChI=1S/C12H15NO7S/c14-5-7-9(15)10(16)11(17)12(20-7)21-8-4-2-1-3-6(8)13(18)19/h1-4,7,9-12,14-17H,5H2/t7-,9+,10+,11-,12+/m1/s1 | Synonyms: | (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-nitrophenyl)sulfanyl-oxane-3,4,5-triol | Definition date: | 2014-02-19 | Last modified: | 2020-07-17 | Release date: | 2014-03-05 | Identifier: | 2-nitrophenyl 1-thio-beta-D-galactopyranoside |
|
| OTU | Name: | 3-O-alpha-D-glucopyranosyl-D-fructose | Formula: | C12 H22 O11 | SMILES: | O=C(C(OC1OC(C(O)C(O)C1O)CO)C(O)C(O)CO)CO | InChi: | InChI=1S/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4,6-16,18-21H,1-3H2/t4-,6-,7-,8-,9+,10-,11-,12-/m1/s1 | Synonyms: | 3-O-alpha-D-glucosyl-D-fructose | Definition date: | 2011-11-01 | Last modified: | 2020-07-17 | Identifier: | 3-O-alpha-D-glucopyranosyl-D-fructose |
|
| 289 | Name: | D-glycero-alpha-D-manno-heptopyranose | Formula: | C7 H14 O7 | SMILES: | OC1C(O)C(OC(O)C1O)C(O)CO | InChi: | InChI=1S/C7H14O7/c8-1-2(9)6-4(11)3(10)5(12)7(13)14-6/h2-13H,1H2/t2-,3+,4+,5+,6-,7+/m1/s1 | Synonyms: | D-glycero-alpha-D-manno-heptose | Definition date: | 2007-11-09 | Last modified: | 2020-07-17 | Identifier: | D-glycero-alpha-D-manno-heptopyranose |
|
| 291 | Name: | prop-2-en-1-yl 7-O-carbamoyl-L-glycero-alpha-D-manno-heptopyranoside | Formula: | C11 H19 N O8 | SMILES: | O=C(OCC(O)C1OC(OC/C=C)C(O)C(O)C1O)N | InChi: | InChI=1S/C11H19NO8/c1-2-3-18-10-8(16)6(14)7(15)9(20-10)5(13)4-19-11(12)17/h2,5-10,13-16H,1,3-4H2,(H2,12,17)/t5-,6-,7-,8-,9+,10-/m0/s1 | Synonyms: | prop-2-en-1-yl 7-O-carbamoyl-L-glycero-alpha-D-manno-heptoside | Definition date: | 2007-11-09 | Last modified: | 2020-07-17 | Identifier: | prop-2-en-1-yl 7-O-carbamoyl-L-glycero-alpha-D-manno-heptopyranoside |
|
| 293 | Name: | 2-deoxy-beta-L-galacto-heptopyranose | Formula: | C7 H14 O6 | SMILES: | OC1C(OC(O)CC1O)C(O)CO | InChi: | InChI=1S/C7H14O6/c8-2-4(10)7-6(12)3(9)1-5(11)13-7/h3-12H,1-2H2/t3-,4+,5+,6+,7-/m1/s1 | Synonyms: | (2S,4R,5S,6R)-6-((S)-1,2-dihydroxyethyl)tetrahydro-2H-pyran-2,4,5-triol | Definition date: | 2007-11-09 | Last modified: | 2020-07-17 | Identifier: | 2-deoxy-beta-L-galacto-heptopyranose |
|
| OWD | Name: | {4-[(6-chloroquinoxalin-2-yl)oxy]phenyl}acetic acid | Formula: | C16 H11 Cl N2 O3 | SMILES: | c2(cnc1cc(Cl)ccc1n2)Oc3ccc(CC(O)=O)cc3 | InChi: | InChI=1S/C16H11ClN2O3/c17-11-3-6-13-14(8-11)18-9-15(19-13)22-12-4-1-10(2-5-12)7-16(20)21/h1-6,8-9H,7H2,(H,20,21) | Definition date: | 2019-07-12 | Last modified: | 2020-07-17 | Release date: | 2020-07-22 | Identifier: | {4-[(6-chloroquinoxalin-2-yl)oxy]phenyl}acetic acid |
|
| OWN | Name: | methyl 4-(cyclopropylmethyl)-1-prop-2-enoyl-2,3-dihydroquinoxaline-6-carboxylate | Formula: | C17 H20 N2 O3 | SMILES: | COC(=O)c1ccc2N(CCN(CC3CC3)c2c1)C(=O)C=C | InChi: | InChI=1S/C17H20N2O3/c1-3-16(20)19-9-8-18(11-12-4-5-12)15-10-13(17(21)22-2)6-7-14(15)19/h3,6-7,10,12H,1,4-5,8-9,11H2,2H3 | Definition date: | 2020-04-06 | Last modified: | 2020-07-17 | Release date: | 2020-07-22 | Identifier: | methyl 4-(cyclopropylmethyl)-1-prop-2-enoyl-2,3-dihydroquinoxaline-6-carboxylate |
|
| GBH | Name: | 2-{4-[2-(beta-D-glucopyranosyloxy)ethyl]piperazin-1-yl}ethanesulfonic acid | Formula: | C14 H28 N2 O9 S | SMILES: | O=S(=O)(O)CCN2CCN(CCOC1OC(C(O)C(O)C1O)CO)CC2 | InChi: | InChI=1S/C14H28N2O9S/c17-9-10-11(18)12(19)13(20)14(25-10)24-7-5-15-1-3-16(4-2-15)6-8-26(21,22)23/h10-14,17-20H,1-9H2,(H,21,22,23)/t10-,11-,12+,13-,14-/m1/s1 | Synonyms: | 2-{4-[2-(beta-D-glucosyloxy)ethyl]piperazin-1-yl}ethanesulfonic acid | Definition date: | 2011-10-20 | Last modified: | 2020-07-17 | Identifier: | 2-{4-[2-(beta-D-glucopyranosyloxy)ethyl]piperazin-1-yl}ethanesulfonic acid |
|
| GC1 | Name: | 2,6-anhydro-L-gulonic acid | Formula: | C6 H10 O6 | SMILES: | O=C(O)C1OCC(O)C(O)C1O | InChi: | InChI=1S/C6H10O6/c7-2-1-12-5(6(10)11)4(9)3(2)8/h2-5,7-9H,1H2,(H,10,11)/t2-,3+,4-,5-/m0/s1 | Synonyms: | 1-deoxy-D-glucuronic acid | Definition date: | 2007-03-21 | Last modified: | 2020-07-17 | Identifier: | 2,6-anhydro-L-gulonic acid |
|
| GC4 | Name: | 4-deoxy-beta-D-glucopyranuronic acid | Formula: | C6 H10 O6 | SMILES: | O=C(O)C1OC(O)C(O)C(O)C1 | InChi: | InChI=1S/C6H10O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h2-4,6-8,11H,1H2,(H,9,10)/t2-,3-,4+,6+/m0/s1 | Synonyms: | 4-DEOXY-D-GLUCURONIC ACID | Definition date: | 1999-11-08 | Last modified: | 2020-07-17 | Identifier: | 4-deoxy-beta-D-xylo-hexopyranuronic acid |
|
| GC9 | Name: | 2,6-anhydro-3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-L-altro-non-2-enonic acid | Formula: | C11 H17 N O9 | SMILES: | C1(C=C(C(O)=O)OC(C1NC(CO)=O)C(C(O)CO)O)O | InChi: | InChI=1S/C11H17NO9/c13-2-5(16)9(18)10-8(12-7(17)3-14)4(15)1-6(21-10)11(19)20/h1,4-5,8-10,13-16,18H,2-3H2,(H,12,17)(H,19,20)/t4-,5+,8+,9-,10+/m0/s1 | Definition date: | 2018-11-05 | Last modified: | 2020-07-17 | Release date: | 2019-10-02 | Identifier: | 2,6-anhydro-3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-L-altro-non-2-enonic acid |
|
| GCB | Name: | (2S,3S,4S,5R)-3,4,5-trihydroxy-6-oxo-oxane-2-carboxylic acid | Formula: | C6 H8 O7 | SMILES: | O=C1OC(C(=O)O)C(O)C(O)C1O | InChi: | InChI=1S/C6H8O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,7-9H,(H,10,11)/t1-,2-,3+,4-/m0/s1 | Synonyms: | D-GLUCARO-1,5-LACTONE | Definition date: | 2002-02-15 | Last modified: | 2020-07-17 | Release date: | 2018-02-07 | Identifier: | (2S,3S,4S,5R)-3,4,5-trihydroxy-6-oxotetrahydro-2H-pyran-2-carboxylic acid (non-preferred name) |
|
| GCD | Name: | 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid | Formula: | C6 H8 O6 | SMILES: | O=C(O)C=1OC(O)C(O)C(O)C=1 | InChi: | InChI=1S/C6H8O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h1-2,4,6-8,11H,(H,9,10)/t2-,4+,6+/m0/s1 | Synonyms: | 4,5-DEHYDRO-D-GLUCURONIC ACID | Definition date: | 2000-12-14 | Last modified: | 2020-07-17 | Identifier: | 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid |
|