 | | LXM | | Name: | [(3~{S},3~{a}~{S},8~{b}~{S})-3-(hydroxymethyl)-2,3,3~{a},8~{b}-tetrahydro-[1]benzofuro[3,2-b]pyrrol-1-yl]-phenyl-methanone | | Formula: | C18 H17 N O3 | | SMILES: | OC[CH]1CN([CH]2[CH]1Oc3ccccc23)C(=O)c4ccccc4 | | InChi: | InChI=1S/C18H17NO3/c20-11-13-10-19(18(21)12-6-2-1-3-7-12)16-14-8-4-5-9-15(14)22-17(13)16/h1-9,13,16-17,20H,10-11H2/t13-,16-,17-/m0/s1 | | Definition date: | 2019-03-15 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | [(3~{S},3~{a}~{S},8~{b}~{S})-3-(hydroxymethyl)-2,3,3~{a},8~{b}-tetrahydro-[1]benzofuro[3,2-b]pyrrol-1-yl]-phenyl-methanone |
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 | | LXS | | Name: | 3-ethyl-1-[(1~{R},8~{S},9~{S},10~{S})-10-oxidanyl-11-oxatricyclo[6.2.1.0^{2,7}]undeca-2(7),3,5-trien-9-yl]imidazolidine-2,4-dione | | Formula: | C15 H16 N2 O4 | | SMILES: | CCN1C(=O)CN([CH]2[CH](O)[CH]3O[CH]2c4ccccc34)C1=O | | InChi: | InChI=1S/C15H16N2O4/c1-2-16-10(18)7-17(15(16)20)11-12(19)14-9-6-4-3-5-8(9)13(11)21-14/h3-6,11-14,19H,2,7H2,1H3/t11-,12-,13-,14+/m0/s1 | | Definition date: | 2019-03-15 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | 3-ethyl-1-[(1~{R},8~{S},9~{S},10~{S})-10-oxidanyl-11-oxatricyclo[6.2.1.0^{2,7}]undeca-2(7),3,5-trien-9-yl]imidazolidine-2,4-dione |
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 | | O81 | | Name: | (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate | | Formula: | C6 H19 O27 P7 | | SMILES: | OP(OP(OC1C(C(C(C(OP(O)(O)=O)C1OP(O)(O)=O)OP(O)(O)=O)OP(O)(O)=O)OP(O)(O)=O)(O)=O)(O)=O | | InChi: | InChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3+,4-,5-,6-/m1/s1 | | Definition date: | 2019-06-18 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate |
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 | | OJ5 | | Name: | 4-[5-(3-chlorophenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine | | Formula: | C16 H15 Cl N4 O | | SMILES: | Clc1cccc(c1)c2c[nH]c3ncnc(N4CCOCC4)c23 | | InChi: | InChI=1S/C16H15ClN4O/c17-12-3-1-2-11(8-12)13-9-18-15-14(13)16(20-10-19-15)21-4-6-22-7-5-21/h1-3,8-10H,4-7H2,(H,18,19,20) | | Definition date: | 2020-03-13 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | 4-[5-(3-chlorophenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine |
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 | | OKN | | Name: | 5'-methyl-2'-deoxycytidine-5'-phosphorothioate | | Formula: | C10 H16 N3 O6 P S | | SMILES: | CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(S)=O)O2)C(=O)N=C1N | | InChi: | InChI=1S/C10H16N3O6PS/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(19-8)4-18-20(16,17)21/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,21)/t6-,7+,8+/m0/s1 | | Definition date: | 2020-03-19 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | [(2~{R},3~{S},5~{R})-5-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphinic acid |
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 | | OKQ | | Name: | 2'-O-methylcytidine-5'-phosphorothioate | | Formula: | C10 H16 N3 O7 P S | | SMILES: | CO[CH]1[CH](O)[CH](CO[P](O)(S)=O)O[CH]1N2C=CC(=NC2=O)N | | InChi: | InChI=1S/C10H16N3O7PS/c1-18-8-7(14)5(4-19-21(16,17)22)20-9(8)13-3-2-6(11)12-10(13)15/h2-3,5,7-9,14H,4H2,1H3,(H2,11,12,15)(H2,16,17,22)/t5-,7-,8-,9-/m1/s1 | | Definition date: | 2020-03-19 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | [(2~{R},3~{R},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphinic acid |
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 | | OKT | | Name: | 2'-O-methyluridine-5'-phosphorothioate | | Formula: | C10 H15 N2 O8 P S | | SMILES: | CO[CH]1[CH](O)[CH](CO[P](O)(S)=O)O[CH]1N2C=CC(=O)NC2=O | | InChi: | InChI=1S/C10H15N2O8PS/c1-18-8-7(14)5(4-19-21(16,17)22)20-9(8)12-3-2-6(13)11-10(12)15/h2-3,5,7-9,14H,4H2,1H3,(H,11,13,15)(H2,16,17,22)/t5-,7-,8-,9-/m1/s1 | | Definition date: | 2020-03-19 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | [(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphinic acid |
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 | | OSD | | Name: | 7-{3-(aminomethyl)-4-[(propan-2-yl)oxy]phenyl}-4-methylquinolin-2-amine | | Formula: | C20 H23 N3 O | | SMILES: | c1(N)nc2c(c(c1)C)ccc(c2)c3cc(c(cc3)OC(C)C)CN | | InChi: | InChI=1S/C20H23N3O/c1-12(2)24-19-7-5-14(9-16(19)11-21)15-4-6-17-13(3)8-20(22)23-18(17)10-15/h4-10,12H,11,21H2,1-3H3,(H2,22,23) | | Definition date: | 2019-07-03 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | 7-{3-(aminomethyl)-4-[(propan-2-yl)oxy]phenyl}-4-methylquinolin-2-amine |
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 | | OSG | | Name: | 7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine | | Formula: | C20 H23 N3 O | | SMILES: | c21nc(N)cc(c1ccc(c2)c3ccc(OCCC)c(c3)CN)C | | InChi: | InChI=1S/C20H23N3O/c1-3-8-24-19-7-5-14(10-16(19)12-21)15-4-6-17-13(2)9-20(22)23-18(17)11-15/h4-7,9-11H,3,8,12,21H2,1-2H3,(H2,22,23) | | Definition date: | 2019-07-03 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | 7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine |
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 | | OSJ | | Name: | 7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine | | Formula: | C19 H21 N3 O | | SMILES: | NCc1cc(ccc1OCC)c2ccc3c(c2)nc(cc3C)N | | InChi: | InChI=1S/C19H21N3O/c1-3-23-18-7-5-13(9-15(18)11-20)14-4-6-16-12(2)8-19(21)22-17(16)10-14/h4-10H,3,11,20H2,1-2H3,(H2,21,22) | | Definition date: | 2019-07-03 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | 7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine |
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 | | MJ4 | | Name: | (2R)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol | | Formula: | C9 H15 N O S | | SMILES: | N(CC(C)O)Cc1ccc(s1)C | | InChi: | InChI=1S/C9H15NOS/c1-7(11)5-10-6-9-4-3-8(2)12-9/h3-4,7,10-11H,5-6H2,1-2H3/t7-/m1/s1 | | Definition date: | 2019-04-04 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | (2R)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol |
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 | | OU4 | | Name: | 7-{3-(aminomethyl)-4-[(1,3-oxazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine | | Formula: | C21 H20 N4 O2 | | SMILES: | c1(N)nc2c(c(c1)C)ccc(c2)c4ccc(OCc3ncoc3)c(CN)c4 | | InChi: | InChI=1S/C21H20N4O2/c1-13-6-21(23)25-19-8-15(2-4-18(13)19)14-3-5-20(16(7-14)9-22)27-11-17-10-26-12-24-17/h2-8,10,12H,9,11,22H2,1H3,(H2,23,25) | | Definition date: | 2019-07-03 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | 7-{3-(aminomethyl)-4-[(1,3-oxazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine |
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 | | OU7 | | Name: | 7-{3-(aminomethyl)-4-[(1,3-thiazol-5-yl)methoxy]phenyl}-4-methylquinolin-2-amine | | Formula: | C21 H20 N4 O S | | SMILES: | c21nc(N)cc(c1ccc(c2)c4ccc(OCc3cncs3)c(CN)c4)C | | InChi: | InChI=1S/C21H20N4OS/c1-13-6-21(23)25-19-8-15(2-4-18(13)19)14-3-5-20(16(7-14)9-22)26-11-17-10-24-12-27-17/h2-8,10,12H,9,11,22H2,1H3,(H2,23,25) | | Definition date: | 2019-07-03 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | 7-{3-(aminomethyl)-4-[(1,3-thiazol-5-yl)methoxy]phenyl}-4-methylquinolin-2-amine |
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 | | OUJ | | Name: | 7-{3-(aminomethyl)-4-[(1,3-thiazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine | | Formula: | C21 H20 N4 O S | | SMILES: | c1c(cc(CN)c(c1)OCc2cscn2)c4ccc3c(cc(nc3c4)N)C | | InChi: | InChI=1S/C21H20N4OS/c1-13-6-21(23)25-19-8-15(2-4-18(13)19)14-3-5-20(16(7-14)9-22)26-10-17-11-27-12-24-17/h2-8,11-12H,9-10,22H2,1H3,(H2,23,25) | | Definition date: | 2019-07-05 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | 7-{3-(aminomethyl)-4-[(1,3-thiazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine |
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 | | P3E | | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(3-methylphenyl)methyl]-6-oxidanylidene-1~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate | | Formula: | C28 H36 N10 O18 P3 | | SMILES: | Cc1cccc(Cn2c[n+]([CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6C(=O)NC(=Nc56)N)[CH](O)[CH]3O)c7N=C(N)NC(=O)c27)c1 | | InChi: | InChI=1S/C28H35N10O18P3/c1-11-3-2-4-12(5-11)6-36-10-38(22-16(36)24(44)35-28(30)33-22)26-20(42)18(40)14(54-26)8-52-58(47,48)56-59(49,50)55-57(45,46)51-7-13-17(39)19(41)25(53-13)37-9-31-15-21(37)32-27(29)34-23(15)43/h2-5,9-10,13-14,17-20,25-26,39-42H,6-8H2,1H3,(H8-,29,30,32,33,34,35,43,44,45,46,47,48,49,50)/p+1/t13-,14-,17-,18-,19-,20-,25-,26-/m1/s1 | | Definition date: | 2020-04-14 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(3-methylphenyl)methyl]-6-oxidanylidene-1~{H}-purin-9-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate |
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 | | P8G | | Name: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[4-[[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[4-[[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-methoxy-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]-1,2,3-triazol-1-yl]-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]-1,2,3-triazol-1-yl]oxane-3,4,5-triol | | Formula: | C25 H40 N6 O16 | | SMILES: | CO[CH]1O[CH](CO)[CH](O)[CH](OCc2cn(nn2)[CH]3O[CH](CO)[CH](O)[CH](OCc4cn(nn4)[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O)[CH]3O)[CH]1O | | InChi: | InChI=1S/C25H40N6O16/c1-42-25-20(41)22(16(37)13(6-34)47-25)44-8-10-3-31(29-27-10)24-19(40)21(15(36)12(5-33)46-24)43-7-9-2-30(28-26-9)23-18(39)17(38)14(35)11(4-32)45-23/h2-3,11-25,32-41H,4-8H2,1H3/t11-,12-,13-,14+,15+,16+,17+,18-,19-,20-,21+,22+,23-,24-,25-/m1/s1 | | Definition date: | 2019-08-06 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[4-[[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[4-[[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-methoxy-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]-1,2,3-triazol-1-yl]-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]-1,2,3-triazol-1-yl]oxane-3,4,5-triol |
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 | | P8J | | Name: | methyl 3-O-[(1-beta-D-galactopyranosyl-1H-1,2,3-triazol-4-yl)methyl]-beta-D-galactopyranoside | | Formula: | C16 H27 N3 O11 | | SMILES: | c2c(COC1C(C(OC)OC(CO)C1O)O)nnn2C3C(C(C(C(CO)O3)O)O)O | | InChi: | InChI=1S/C16H27N3O11/c1-27-16-13(26)14(10(23)8(4-21)30-16)28-5-6-2-19(18-17-6)15-12(25)11(24)9(22)7(3-20)29-15/h2,7-16,20-26H,3-5H2,1H3/t7-,8-,9+,10+,11+,12-,13-,14+,15-,16-/m1/s1 | | Definition date: | 2019-08-06 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | methyl 3-O-[(1-beta-D-galactopyranosyl-1H-1,2,3-triazol-4-yl)methyl]-beta-D-galactopyranoside |
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 | | QFD | | Name: | (3S,6S)-3-{[4-(hydroxymethoxy)phenyl]methyl}-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione | | Formula: | C19 H20 N2 O5 | | SMILES: | c3c(ccc(CC1C(NC(C(=O)N1)Cc2ccc(O)cc2)=O)c3)OCO | | InChi: | InChI=1S/C19H20N2O5/c22-11-26-15-7-3-13(4-8-15)10-17-19(25)20-16(18(24)21-17)9-12-1-5-14(23)6-2-12/h1-8,16-17,22-23H,9-11H2,(H,20,25)(H,21,24)/t16-,17-/m0/s1 | | Definition date: | 2019-10-21 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | (3S,6S)-3-{[4-(hydroxymethoxy)phenyl]methyl}-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione |
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 | | EVU | | Name: | 4-[2-[4-(aminomethyl)phenyl]phenyl]piperazin-2-one | | Formula: | C17 H19 N3 O | | SMILES: | NCc1ccc(cc1)c2ccccc2N3CCNC(=O)C3 | | InChi: | InChI=1S/C17H19N3O/c18-11-13-5-7-14(8-6-13)15-3-1-2-4-16(15)20-10-9-19-17(21)12-20/h1-8H,9-12,18H2,(H,19,21) | | Definition date: | 2020-02-06 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | 4-[2-[4-(aminomethyl)phenyl]phenyl]piperazin-2-one |
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 | | QSS | | Name: | 2-(4-methylpiperazin-1-yl)aniline | | Formula: | C11 H17 N3 | | SMILES: | c1cccc(c1N2CCN(C)CC2)N | | InChi: | InChI=1S/C11H17N3/c1-13-6-8-14(9-7-13)11-5-3-2-4-10(11)12/h2-5H,6-9,12H2,1H3 | | Definition date: | 2019-12-17 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | 2-(4-methylpiperazin-1-yl)aniline |
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 | | R41 | | Name: | [(2R)-7-(2-aminopyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone | | Formula: | C18 H19 Cl N4 O2 | | SMILES: | c1(cc(ccn1)c2cc(cc3c2OC(C3)C(=O)N4CCNCC4)Cl)N | | InChi: | InChI=1S/C18H19ClN4O2/c19-13-7-12-8-15(18(24)23-5-3-21-4-6-23)25-17(12)14(10-13)11-1-2-22-16(20)9-11/h1-2,7,9-10,15,21H,3-6,8H2,(H2,20,22)/t15-/m1/s1 | | Definition date: | 2020-01-29 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | [(2R)-7-(2-aminopyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone |
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 | | R4D | | Name: | 3-({4-hydroxy-1-[(2R)-2-methyl-3-phenylpropanoyl]piperidin-4-yl}methyl)quinazolin-4(3H)-one | | Formula: | C24 H27 N3 O3 | | SMILES: | CC(C(=O)N3CCC(O)(CN2C=Nc1c(cccc1)C2=O)CC3)Cc4ccccc4 | | InChi: | InChI=1S/C24H27N3O3/c1-18(15-19-7-3-2-4-8-19)22(28)26-13-11-24(30,12-14-26)16-27-17-25-21-10-6-5-9-20(21)23(27)29/h2-10,17-18,30H,11-16H2,1H3/t18-/m1/s1 | | Definition date: | 2020-01-29 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | 3-({4-hydroxy-1-[(2R)-2-methyl-3-phenylpropanoyl]piperidin-4-yl}methyl)quinazolin-4(3H)-one |
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 | | R4J | | Name: | [(2R)-5-chloro-7-{2-[(2S)-1-chloro-2,3-dihydroxypropan-2-yl]thieno[3,2-b]pyridin-7-yl}-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone | | Formula: | C23 H23 Cl2 N3 O4 S | | SMILES: | c4(Cl)cc(c1ccnc2cc(C(CO)(CCl)O)sc12)c3OC(Cc3c4)C(N5CCNCC5)=O | | InChi: | InChI=1S/C23H23Cl2N3O4S/c24-11-23(31,12-29)19-10-17-21(33-19)15(1-2-27-17)16-9-14(25)7-13-8-18(32-20(13)16)22(30)28-5-3-26-4-6-28/h1-2,7,9-10,18,26,29,31H,3-6,8,11-12H2/t18-,23+/m1/s1 | | Definition date: | 2020-01-29 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | [(2R)-5-chloro-7-{2-[(2S)-1-chloro-2,3-dihydroxypropan-2-yl]thieno[3,2-b]pyridin-7-yl}-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone |
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 | | 60Z | | Name: | (3R,4E,7E,10R,11S,12R,13S,16R,17R,24aS)-11,17-dihydroxy-10,12,16-trimethyl-3-[(2R)-1-phenylbutan-2-yl]-6,9,10,11,12,13,14,15,16,17,22,23,24,24a-tetradecahydro-3H-13,17-epoxypyrido[2,1-c][1,4]oxazacyclohenicosine-1,18,19(21H)-trione | | Formula: | C36 H51 N O7 | | SMILES: | C14(OC(C(C(C(C)CC=CCC=CC(OC(C2CCCCN2C(=O)C1=O)=O)C(Cc3ccccc3)CC)O)C)CCC4C)O | | InChi: | InChI=1S/C36H51NO7/c1-5-28(23-27-16-10-8-11-17-27)31-19-12-7-6-9-15-24(2)32(38)26(4)30-21-20-25(3)36(42,44-30)33(39)34(40)37-22-14-13-18-29(37)35(41)43-31/h6,8-12,16-17,19,24-26,28-32,38,42H,5,7,13-15,18,20-23H2,1-4H3/b9-6+,19-12+/t24-,25-,26+,28-,29+,30+,31+,32+,36-/m1/s1 | | Definition date: | 2016-01-12 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | (3R,4E,7E,10R,11S,12R,13S,16R,17R,24aS)-11,17-dihydroxy-10,12,16-trimethyl-3-[(2R)-1-phenylbutan-2-yl]-6,9,10,11,12,13,14,15,16,17,22,23,24,24a-tetradecahydro-3H-13,17-epoxypyrido[2,1-c][1,4]oxazacyclohenicosine-1,18,19(21H)-trione |
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 | | S3J | | Name: | 2-(4-phenylpiperidin-1-yl)ethanoic acid | | Formula: | C13 H17 N O2 | | SMILES: | OC(=O)CN1CCC(CC1)c2ccccc2 | | InChi: | InChI=1S/C13H17NO2/c15-13(16)10-14-8-6-12(7-9-14)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16) | | Definition date: | 2020-03-04 | | Last modified: | 2020-04-17 | | Release date: | 2020-04-22 | | Identifier: | 2-(4-phenylpiperidin-1-yl)ethanoic acid |
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