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SVG
SVG
表記:(~{E})-1-(4-chlorophenyl)-~{N}-(pyridin-3-ylmethyl)ethanimine
組成式:C14 H13 Cl N2
SMILES:CC(=NCc1cccnc1)c2ccc(Cl)cc2
InChi:InChI=1S/C14H13ClN2/c1-11(13-4-6-14(15)7-5-13)17-10-12-3-2-8-16-9-12/h2-9H,10H2,1H3/b17-11+
定義日:2020-03-11
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:(~{E})-1-(4-chlorophenyl)-~{N}-(pyridin-3-ylmethyl)ethanimine
SVJ
SVJ
表記:(1~{S},5~{R})-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
組成式:C8 H16 N2
SMILES:CN1[CH]2CC[CH]1C[CH](N)C2
InChi:InChI=1S/C8H16N2/c1-10-7-2-3-8(10)5-6(9)4-7/h6-8H,2-5,9H2,1H3/t6-,7+,8-
定義日:2020-03-11
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:(1~{S},5~{R})-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SVM
SVM
表記:1-[(1~{R},2~{R},4~{S})-2-bicyclo[2.2.1]heptanyl]-3-(2-pyridin-2-ylethyl)thiourea
組成式:C15 H21 N3 S
SMILES:S=C(NCCc1ccccn1)N[CH]2C[CH]3CC[CH]2C3
InChi:InChI=1S/C15H21N3S/c19-15(17-8-6-13-3-1-2-7-16-13)18-14-10-11-4-5-12(14)9-11/h1-3,7,11-12,14H,4-6,8-10H2,(H2,17,18,19)/t11-,12+,14+/m0/s1
定義日:2020-03-11
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:1-[(1~{R},2~{R},4~{S})-2-bicyclo[2.2.1]heptanyl]-3-(2-pyridin-2-ylethyl)thiourea
D1M
D1M
表記:5-ethynyl-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione
組成式:C12 H14 N2 O7
SMILES:O=C1NC(=O)N(C=C1C#C)C2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C12H14N2O7/c1-2-5-3-14(12(20)13-10(5)19)11-9(18)8(17)7(16)6(4-15)21-11/h1,3,6-9,11,15-18H,4H2,(H,13,19,20)/t6-,7-,8+,9-,11-/m1/s1
別名:5-ethynyl-1-(beta-D-glucosyl)pyrimidine-2,4(1H,3H)-dione
定義日:2012-04-12
最終更新日:2020-07-17
識別子（ID）:5-ethynyl-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione
SWD
SWD
表記:4-chloranylthieno[3,2-d]pyrimidine
組成式:C6 H3 Cl N2 S
SMILES:Clc1ncnc2ccsc12
InChi:InChI=1S/C6H3ClN2S/c7-6-5-4(1-2-10-5)8-3-9-6/h1-3H
定義日:2020-03-11
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:4-chloranylthieno[3,2-d]pyrimidine
SWE
SWE
表記:alpha-D-fructofuranosyl alpha-D-glucopyranoside
組成式:C12 H22 O11
SMILES:O1C(CO)C(O)C(O)C(O)C1OC2(OC(C(O)C2O)CO)CO
InChi:InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12-/m1/s1
定義日:2009-09-17
最終更新日:2020-07-17
識別子（ID）:alpha-D-fructofuranosyl alpha-D-glucopyranoside
SZZ
SZZ
表記:Sinigrin
組成式:C10 H17 N O9 S2
SMILES:OC[CH]1O[CH](SC(CC=C)=NO[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C10H17NO9S2/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18)/b11-6+/t5-,7-,8+,9-,10+/m1/s1
定義日:2016-11-16
最終更新日:2020-07-17
公開日:2017-07-05
識別子（ID）:[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1~{E})-~{N}-sulfooxybut-3-enimidothioate
D5E
D5E
表記:paromamine
組成式:C12 H25 N3 O7
SMILES:N[CH]1C[CH](N)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2N)[CH](O)[CH]1O
InChi:InChI=1S/C12H25N3O7/c13-3-1-4(14)11(10(20)7(3)17)22-12-6(15)9(19)8(18)5(2-16)21-12/h3-12,16-20H,1-2,13-15H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1
定義日:2017-12-21
最終更新日:2020-07-17
公開日:2018-01-17
識別子（ID）:(2~{R},3~{S},4~{R},5~{R},6~{S})-5-azanyl-6-[(1~{R},2~{R},3~{S},4~{R},6~{S})-4,6-bis(azanyl)-2,3-bis(oxidanyl)cyclohexyl ]oxy-2-(hydroxymethyl)oxane-3,4-diol
D6G
D6G
表記:2-deoxy-6-O-phosphono-alpha-D-glucopyranose
組成式:C6 H13 O8 P
SMILES:O=P(O)(O)OCC1OC(O)CC(O)C1O
InChi:InChI=1S/C6H13O8P/c7-3-1-5(8)14-4(6(3)9)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5+,6+/m1/s1
別名:2-deoxy-6-O-phosphono-alpha-D-arabino-hexopyranose
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:2-deoxy-6-O-phosphono-alpha-D-arabino-hexopyranose
DAF
DAF
表記:4,6-dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-D-xylo-hex-5-enopyranose
組成式:C13 H17 N O8
SMILES:O=CC2=CC(NC1C(/OC(O)C(O)C1O)=C)C(O)C(O)C2=O
InChi:InChI=1S/C13H17NO8/c1-4-7(10(18)12(20)13(21)22-4)14-6-2-5(3-15)8(16)11(19)9(6)17/h2-3,6-7,9-14,17-21H,1H2/t6-,7+,9-,10-,11-,12+,13-/m0/s1
別名:4,6-dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-D-xylo-hex-5-enose
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:4,6-dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-D-xylo-hex-5-enopyranose
DAG
DAG
表記:4-amino-4,6-dideoxy-beta-D-glucopyranose
組成式:C6 H13 N O4
SMILES:OC1C(N)C(OC(O)C1O)C
InChi:InChI=1S/C6H13NO4/c1-2-3(7)4(8)5(9)6(10)11-2/h2-6,8-10H,7H2,1H3/t2-,3-,4+,5-,6-/m1/s1
別名:4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDE
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:4-amino-4,6-dideoxy-beta-D-glucopyranose
DAN
DAN
表記:2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID
組成式:C11 H17 N O8
SMILES:O=C(O)C=1OC(C(O)C(O)CO)C(NC(=O)C)C(O)C=1
InChi:InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1
別名:Neu5Ac2en
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:5-(acetylamino)-2,6-anhydro-3,5-dideoxy-D-glycero-D-galacto-non-2-enonic acid
T68
T68
表記:N-[(pyridin-2-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine
組成式:C13 H17 N3 O7
SMILES:O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ncccc2
InChi:InChI=1S/C13H17N3O7/c17-5-7-8(18)9(19)10(20)12(23-7)16-13(22)15-11(21)6-3-1-2-4-14-6/h1-4,7-10,12,17-20H,5H2,(H2,15,16,21,22)/t7-,8-,9+,10-,12-/m1/s1
別名:N-[(pyridin-2-ylcarbonyl)carbamoyl]-beta-D-glucosylamine
定義日:2012-11-22
最終更新日:2020-07-17
公開日:2013-12-11
識別子（ID）:N-[(pyridin-2-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine
T6D
T6D
表記:alpha-D-glucopyranosyl 6-O-decanoyl-alpha-D-glucopyranoside
組成式:C22 H40 O12
SMILES:C1(C(C(O)C(C(O1)COC(CCCCCCCCC)=O)O)O)OC2C(C(C(C(CO)O2)O)O)O
InChi:InChI=1S/C22H40O12/c1-2-3-4-5-6-7-8-9-14(24)31-11-13-16(26)18(28)20(30)22(33-13)34-21-19(29)17(27)15(25)12(10-23)32-21/h12-13,15-23,25-30H,2-11H2,1H3/t12-,13-,15-,16-,17+,18+,19-,20-,21-,22-/m1/s1
別名:trehalose 6-decanoate
定義日:2018-10-02
最終更新日:2020-07-17
公開日:2019-09-18
識別子（ID）:alpha-D-glucopyranosyl 6-O-decanoyl-alpha-D-glucopyranoside
T6P
T6P
表記:Trehalose-6-phosphate
組成式:C12 H23 O14 P
SMILES:O=P(O)(O)OCC2OC(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C2O
InChi:InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1
別名:6-O-phosphono-alpha-D-glucopyranosyl alpha-D-glucopyranoside
定義日:1999-08-20
最終更新日:2020-07-17
識別子（ID）:6-O-phosphono-alpha-D-glucopyranosyl alpha-D-glucopyranoside
T6T
T6T
表記:alpha-D-tagatopyranose
組成式:C6 H12 O6
SMILES:OC1C(OCC(C1O)O)(CO)O
InChi:InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5+,6+/m1/s1
別名:alpha-D-tagatose
定義日:2015-07-13
最終更新日:2020-07-17
公開日:2015-07-22
識別子（ID）:alpha-D-tagatopyranose
DDA
DDA
表記:beta-D-Olivopyranose
組成式:C6 H12 O4
SMILES:OC1C(OC(O)CC1O)C
InChi:InChI=1S/C6H12O4/c1-3-6(9)4(7)2-5(8)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6-/m1/s1
別名:beta-D-Olivose
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:2,6-dideoxy-beta-D-arabino-hexopyranose
DDL
DDL
表記:2,6-dideoxy-beta-D-galactopyranose
組成式:C6 H12 O4
SMILES:OC1C(OC(O)CC1O)C
InChi:InChI=1S/C6H12O4/c1-3-6(9)4(7)2-5(8)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6+/m1/s1
別名:2,6-DIDEOXY-BETA-D-GALACTOSE
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:2,6-dideoxy-beta-D-lyxo-hexopyranose
ANA
ANA
表記:methyl 4-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
組成式:C14 H23 N O10
SMILES:O=C(O)C1(OC)OC(C(O)C(O)CO)C(NC(=O)C)C(OC(=O)C)C1
InChi:InChI=1S/C14H23NO10/c1-6(17)15-10-9(24-7(2)18)4-14(23-3,13(21)22)25-12(10)11(20)8(19)5-16/h8-12,16,19-20H,4-5H2,1-3H3,(H,15,17)(H,21,22)/t8-,9+,10-,11-,12-,14-/m1/s1
別名:4-O-ACETYL-ALPHA-2-OMETHYL-5-N-ACETYL-ALPHA-D-NEURAMINIC ACID
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:methyl 4-O-acetyl-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
AOG
AOG
表記:octyl 3-amino-3-deoxy-beta-D-galactopyranoside
組成式:C14 H29 N O5
SMILES:O(CCCCCCCC)C1OC(C(O)C(N)C1O)CO
InChi:InChI=1S/C14H29NO5/c1-2-3-4-5-6-7-8-19-14-13(18)11(15)12(17)10(9-16)20-14/h10-14,16-18H,2-9,15H2,1H3/t10-,11+,12+,13-,14-/m1/s1
別名:4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,5-DIOL
定義日:2003-10-28
最終更新日:2020-07-17
識別子（ID）:octyl 3-amino-3-deoxy-beta-D-galactopyranoside
XDX
XDX
表記:(2R)-2-(alpha-D-glucopyranosyloxy)-3-(phosphonooxy)propanoic acid
組成式:C9 H17 O12 P
SMILES:OP(O)(=O)OCC(C(O)=O)OC1C(C(C(C(O1)CO)O)O)O
InChi:InChI=1S/C9H17O12P/c10-1-3-5(11)6(12)7(13)9(20-3)21-4(8(14)15)2-19-22(16,17)18/h3-7,9-13H,1-2H2,(H,14,15)(H2,16,17,18)/t3-,4-,5-,6+,7-,9-/m1/s1
別名:(2R)-2-(alpha-D-glucosyloxy)-3-(phosphonooxy)propanoic acid
定義日:2016-05-10
最終更新日:2020-07-17
公開日:2017-05-24
識別子（ID）:(2R)-2-(alpha-D-glucopyranosyloxy)-3-(phosphonooxy)propanoic acid
AQA
AQA
表記:4-deoxy-beta-L-threo-hex-4-enopyranuronic acid
組成式:C6 H8 O6
SMILES:O=C(O)C=1OC(C(C(C=1)O)O)O
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
別名:4-deoxy-beta-L-threo-hex-4-enuronic acid
定義日:2011-06-24
最終更新日:2020-07-17
識別子（ID）:4-deoxy-beta-L-threo-hex-4-enopyranuronic acid
ARB
ARB
表記:beta-L-arabinopyranose
組成式:C5 H10 O5
SMILES:OC1C(O)COC(O)C1O
InChi:InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5-/m0/s1
別名:beta-L-arabinose
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:beta-L-arabinopyranose
ARI
ARI
表記:(2R,3R,6R)-6-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate
組成式:C8 H14 O4
SMILES:O=C(OC1C(OC(O)CC1)C)C
InChi:InChI=1S/C8H14O4/c1-5-7(12-6(2)9)3-4-8(10)11-5/h5,7-8,10H,3-4H2,1-2H3/t5-,7-,8-/m1/s1
別名:[O4]-ACETOXY-2,3-DIDEOXYFUCOSE
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:(2R,3R,6R)-6-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate
ARW
ARW
表記:methyl beta-D-arabinopyranoside
組成式:C6 H12 O5
SMILES:OC1C(O)C(O)COC1OC
InChi:InChI=1S/C6H12O5/c1-10-6-5(9)4(8)3(7)2-11-6/h3-9H,2H2,1H3/t3-,4-,5+,6-/m1/s1
別名:methyl beta-D-arabinoside
定義日:2005-04-12
最終更新日:2020-07-17
識別子（ID）:methyl beta-D-arabinopyranoside

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