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表記:alpha-D-galactopyranuronic acid
組成式:C6 H10 O7
SMILES:O=C(O)C1OC(O)C(O)C(O)C1O
InChi:InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6-/m0/s1
別名:alpha-D-galacturonic acid
定義日:2002-04-08
最終更新日:2020-07-17
識別子（ID）:alpha-D-galactopyranuronic acid
OBQ
OBQ
表記:(3~{S})-7-azanyl-6-methoxy-3-[(5~{R})-4-methoxy-6-methyl-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3~{H}-2-benzofuran-1-one
組成式:C21 H22 N2 O6
SMILES:COc1ccc2[CH](OC(=O)c2c1N)[CH]3N(C)CCc4cc5OCOc5c(OC)c34
InChi:InChI=1S/C21H22N2O6/c1-23-7-6-10-8-13-19(28-9-27-13)20(26-3)14(10)17(23)18-11-4-5-12(25-2)16(22)15(11)21(24)29-18/h4-5,8,17-18H,6-7,9,22H2,1-3H3/t17-,18+/m1/s1
定義日:2020-02-26
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:(3~{S})-7-azanyl-6-methoxy-3-[(5~{R})-4-methoxy-6-methyl-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3~{H}-2-benzofuran-1-one
AF1
AF1
表記:4,6-dideoxy-4-{[(1S,4S,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-beta-D-glucopyranose
組成式:C13 H23 N O8
SMILES:OC2C(NC1C=C(CO)C(O)C(O)C1O)C(OC(O)C2O)C
InChi:InChI=1S/C13H23NO8/c1-4-7(10(18)12(20)13(21)22-4)14-6-2-5(3-15)8(16)11(19)9(6)17/h2,4,6-21H,3H2,1H3/t4-,6+,7-,8?,9+,10+,11+,12-,13-/m1/s1
別名:4,6-dideoxy-4-{[(1S,4S,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-beta-D-glucose
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:4,6-dideoxy-4-{[(1S,4S,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-beta-D-glucopyranose
AFD
AFD
表記:alpha-D-allopyranose
組成式:C6 H12 O6
SMILES:C1(O)OC(C(C(C1O)O)O)CO
InChi:InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6+/m1/s1
別名:alpha-D-allose
定義日:2012-08-31
最終更新日:2020-07-17
公開日:2012-12-07
識別子（ID）:alpha-D-allopyranose
AFO
AFO
表記:octyl alpha-D-arabinofuranoside
組成式:C13 H26 O5
SMILES:O(CCCCCCCC)C1OC(C(O)C1O)CO
InChi:InChI=1S/C13H26O5/c1-2-3-4-5-6-7-8-17-13-12(16)11(15)10(9-14)18-13/h10-16H,2-9H2,1H3/t10-,11-,12+,13+/m1/s1
別名:octyl alpha-D-arabinoside
定義日:2010-12-06
最終更新日:2020-07-17
識別子（ID）:octyl alpha-D-arabinofuranoside
AGL
AGL
表記:4-amino-4,6-dideoxy-alpha-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-ALPHA-D-GLUCOSE
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:4-amino-4,6-dideoxy-alpha-D-glucopyranose
AGR
AGR
表記:[(2R,3S,4S,5S)-2,5-bis(hydroxymethyl)-5-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidany l-oxolan-3-yl] [(2R,3R,4S,5S)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate
組成式:C17 H31 O18 P
SMILES:O=P(OC1C(O)C(O)COC1O)(OC3C(OC(OC2OC(CO)C(O)C(O)C2O)(CO)C3O)CO)O
InChi:InChI=1S/C17H31O18P/c18-1-6-9(23)10(24)11(25)16(31-6)33-17(4-20)14(26)12(7(2-19)32-17)34-36(28,29)35-13-8(22)5(21)3-30-15(13)27/h5-16,18-27H,1-4H2,(H,28,29)/t5-,6+,7+,8-,9-,10+,11+,12+,13+,14-,15+,16+,17-/m0/s1
別名:agrocinopine A
定義日:2014-03-12
最終更新日:2020-07-17
公開日:2015-08-19
識別子（ID）:(2R,3S,4S,5S)-4-hydroxy-2,5-bis(hydroxymethyl)-5-{[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydrofuran-3-yl (2R,3R,4S,5S)-2,4,5-trihydroxytetrahydro-2H-pyran-3-yl hydrogen (R)-phosphate (non-preferred name)
AH8
AH8
表記:(2R,3R,4R,5S)-2-azido-5-(hydroxymethyl)oxolane-3,4-diol
組成式:C5 H9 N3 O4
SMILES:[N-]=[N+]=N/C1OC(C(O)C1O)CO
InChi:InChI=1S/C5H9N3O4/c6-8-7-5-4(11)3(10)2(1-9)12-5/h2-5,9-11H,1H2/t2-,3-,4+,5+/m0/s1
別名:(2R,3R,4R,5S)-2-azido-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
定義日:2010-08-03
最終更新日:2020-07-17
識別子（ID）:(2R,3R,4R,5S)-2-azido-5-(hydroxymethyl)tetrahydrofuran-3,4-diol (non-preferred name)
AIG
AIG
表記:hexyl 3-amino-3-deoxy-beta-D-galactopyranoside
組成式:C12 H25 N O5
SMILES:O(CCCCCC)C1OC(C(O)C(N)C1O)CO
InChi:InChI=1S/C12H25NO5/c1-2-3-4-5-6-17-12-11(16)9(13)10(15)8(7-14)18-12/h8-12,14-16H,2-7,13H2,1H3/t8-,9+,10+,11-,12-/m1/s1
別名:4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,5-DIOL
定義日:2003-10-27
最終更新日:2020-07-17
識別子（ID）:hexyl 3-amino-3-deoxy-beta-D-galactopyranoside
OI7
OI7
表記:1,7-di-O-phosphono-beta-D-altro-hept-2-ulofuranose
組成式:C7 H16 O13 P2
SMILES:O=P(O)(O)OCC(O)C1OC(O)(COP(=O)(O)O)C(O)C1O
InChi:InChI=1S/C7H16O13P2/c8-3(1-18-21(12,13)14)5-4(9)6(10)7(11,20-5)2-19-22(15,16)17/h3-6,8-11H,1-2H2,(H2,12,13,14)(H2,15,16,17)/t3-,4-,5-,6+,7-/m1/s1
別名:1,7-di-O-phosphono-beta-D-altro-hept-2-ulose
定義日:2010-10-21
最終更新日:2020-07-17
識別子（ID）:1,7-di-O-phosphono-beta-D-altro-hept-2-ulofuranose
2M4
2M4
表記:2-O-alpha-D-mannopyranosyl-alpha-D-mannopyranose
組成式:C12 H22 O11
SMILES:O(C1C(O)OC(CO)C(O)C1O)C2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C12H22O11/c13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9+,10+,11+,12-/m1/s1
定義日:2010-08-16
最終更新日:2020-07-17
識別子（ID）:2-O-alpha-D-mannopyranosyl-alpha-D-mannopyranose
2M5
2M5
表記:methyl 7-deoxy-L-glycero-alpha-D-manno-heptopyranoside
組成式:C8 H16 O6
SMILES:OC1C(O)C(O)C(OC1OC)C(O)C
InChi:InChI=1S/C8H16O6/c1-3(9)7-5(11)4(10)6(12)8(13-2)14-7/h3-12H,1-2H3/t3-,4-,5-,6-,7+,8-/m0/s1
別名:methyl 7-deoxy-L-glycero-alpha-D-manno-heptoside
定義日:2010-08-16
最終更新日:2020-07-17
識別子（ID）:methyl 7-deoxy-L-glycero-alpha-D-manno-heptopyranoside
2M8
2M8
表記:(2R)-3-hydroxy-2-(alpha-D-mannopyranosyloxy)propanoic acid
組成式:C9 H16 O9
SMILES:O=C(O)C(OC1OC(C(O)C(O)C1O)CO)CO
InChi:InChI=1S/C9H16O9/c10-1-3-5(12)6(13)7(14)9(17-3)18-4(2-11)8(15)16/h3-7,9-14H,1-2H2,(H,15,16)/t3-,4-,5-,6+,7+,9-/m1/s1
別名:2-O-ALPHA-MANNOSYL-D-GLYCERATE
定義日:2011-07-14
最終更新日:2020-07-17
識別子（ID）:(2R)-3-hydroxy-2-(alpha-D-mannopyranosyloxy)propanoic acid
2OS
2OS
表記:3-N-OCTANOYLSUCROSE
組成式:C20 H36 O12
SMILES:O=C(OC1C(O)C(OC(CO)C1O)OC2(OC(C(O)C2O)CO)CO)CCCCCCC
InChi:InChI=1S/C20H36O12/c1-2-3-4-5-6-7-13(24)30-17-14(25)11(8-21)29-19(16(17)27)32-20(10-23)18(28)15(26)12(9-22)31-20/h11-12,14-19,21-23,25-28H,2-10H2,1H3/t11-,12-,14-,15-,16-,17+,18+,19-,20+/m1/s1
別名:3'-O-N-OCTANOYL-A-D-GLUCOPYRANOSYL-B-D-FRUCTOFURANOSIDE
定義日:2004-05-02
最終更新日:2020-07-17
識別子（ID）:beta-D-fructofuranosyl 3-O-octanoyl-alpha-D-glucopyranoside
ONN
ONN
表記: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
組成式: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
定義日:2020-03-21
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）: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
OPM
OPM
表記:pentyl alpha-D-mannopyranoside
組成式: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
別名:O1-PENTYL-MANNOSE
定義日:2002-07-10
最終更新日:2020-07-17
識別子（ID）:pentyl alpha-D-mannopyranoside
OSU
OSU
表記:N-OCTANOYLSUCROSE
組成式: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
別名:N-OCTANOYL-B-D-FRUCTOFURANOSYL-A-D-GLUCOPYRANOSIDE
定義日:2003-07-14
最終更新日:2020-07-17
識別子（ID）:6-O-octanoyl-beta-D-fructofuranosyl alpha-D-glucopyranoside
OTG
OTG
表記:2-deoxy-2-{[(2-methylphenyl)carbonyl]amino}-alpha-D-glucopyranose
組成式: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
別名:ORTHO-TOLUOYLGLUCOSAMINE
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:2-deoxy-2-{[(2-methylphenyl)carbonyl]amino}-alpha-D-glucopyranose
OTN
OTN
表記:2-nitrophenyl 1-thio-beta-D-galactopyranoside
組成式: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
別名:(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-nitrophenyl)sulfanyl-oxane-3,4,5-triol
定義日:2014-02-19
最終更新日:2020-07-17
公開日:2014-03-05
識別子（ID）:2-nitrophenyl 1-thio-beta-D-galactopyranoside
OTU
OTU
表記:3-O-alpha-D-glucopyranosyl-D-fructose
組成式: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
別名:3-O-alpha-D-glucosyl-D-fructose
定義日:2011-11-01
最終更新日:2020-07-17
識別子（ID）:3-O-alpha-D-glucopyranosyl-D-fructose
2WP
2WP
表記:S-ribosylhomocysteine
組成式:C9 H17 N O6 S
SMILES:O=C(O)C(N)CCSCC1OC(O)C(O)C1O
InChi:InChI=1S/C9H17NO6S/c10-4(8(13)14)1-2-17-3-5-6(11)7(12)9(15)16-5/h4-7,9,11-12,15H,1-3,10H2,(H,13,14)/t4-,5+,6+,7+,9-/m0/s1
別名:(2S)-2-amino-4-({[(2S,3S,4R,5S)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid
定義日:2014-03-13
最終更新日:2020-07-17
公開日:2014-03-26
識別子（ID）:(2S)-2-amino-4-({[(2S,3S,4R,5S)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name)
2WS
2WS
表記:beta-D-xylopyranosyl-(1->4)-beta-D-xylopyranosyl-(1->4)-beta-D-xylopyranose
組成式:C15 H26 O13
SMILES:O(C1COC(O)C(O)C1O)C3OCC(OC2OCC(O)C(O)C2O)C(O)C3O
InChi:InChI=1S/C15H26O13/c16-4-1-25-14(11(21)7(4)17)28-6-3-26-15(12(22)9(6)19)27-5-2-24-13(23)10(20)8(5)18/h4-23H,1-3H2/t4-,5-,6-,7+,8+,9+,10-,11-,12-,13-,14+,15+/m1/s1
定義日:2014-03-19
最終更新日:2020-07-17
公開日:2014-05-07
識別子（ID）:beta-D-xylopyranosyl-(1->4)-beta-D-xylopyranosyl-(1->4)-beta-D-xylopyranose
OWD
OWD
表記:{4-[(6-chloroquinoxalin-2-yl)oxy]phenyl}acetic acid
組成式: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)
定義日:2019-07-12
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:{4-[(6-chloroquinoxalin-2-yl)oxy]phenyl}acetic acid
OX2
OX2
表記:(1R)-1,5-anhydro-1-(5-methyl-1,3,4-oxadiazol-2-yl)-D-glucitol
組成式:C9 H14 N2 O6
SMILES:OC1C(O)C(O)C(OC1CO)c2nnc(o2)C
InChi:InChI=1S/C9H14N2O6/c1-3-10-11-9(16-3)8-7(15)6(14)5(13)4(2-12)17-8/h4-8,12-15H,2H2,1H3/t4-,5-,6+,7-,8-/m1/s1
別名:2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-1,3,4-OXADIAZOLE
定義日:2004-10-05
最終更新日:2020-07-17
識別子（ID）:(1R)-1,5-anhydro-1-(5-methyl-1,3,4-oxadiazol-2-yl)-D-glucitol
9SG
9SG
表記:(2R,3R,5R,6R)-5-acetamido-2,3-bis(fluoranyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
組成式:C11 H17 F2 N O7
SMILES:O=C(C)NC1C(C(C(CO)O)O)OC(C(C1)F)(F)C(=O)O
InChi:InChI=1S/C11H17F2NO7/c1-4(16)14-5-2-7(12)11(13,10(19)20)21-9(5)8(18)6(17)3-15/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8-,9-,11-/m1/s1
別名:(2~{R},3~{R},5~{R},6~{R})-5-acetamido-2,3-bis(fluoranyl)-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
定義日:2017-06-07
最終更新日:2020-07-17
公開日:2018-02-21
識別子（ID）:(2R,3R,5R,6R)-5-(acetylamino)-2,3-difluoro-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)

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