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MT9
MT9
Name:(3R,4S,5S,7R,9E,11S,12R)-12-ethyl-11-hydroxy-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside
Formula:C25 H43 N O7
SMILES:O=C2OC(CC)C(O)(C=CC(=O)C(C)CC(C(OC1OC(CC(N(C)C)C1O)C)C2C)C)C
InChi:InChI=1S/C25H43NO7/c1-9-20-25(6,30)11-10-19(27)14(2)12-15(3)22(17(5)23(29)32-20)33-24-21(28)18(26(7)8)13-16(4)31-24/h10-11,14-18,20-22,24,28,30H,9,12-13H2,1-8H3/b11-10+/t14-,15+,16-,17-,18+,20-,21-,22+,24+,25+/m1/s1
Synonyms:methymycin
Definition date:2009-04-22
Last modified:2021-03-01
Identifier:(3R,4S,5S,7R,9E,11S,12R)-12-ethyl-11-hydroxy-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside
POW
POW
Name:Diperodon
Formula:C22 H27 N3 O4
SMILES:O=C(Nc1ccccc1)OC[CH](CN2CCCCC2)OC(=O)Nc3ccccc3
InChi:InChI=1S/C22H27N3O4/c26-21(23-18-10-4-1-5-11-18)28-17-20(16-25-14-8-3-9-15-25)29-22(27)24-19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,23,26)(H,24,27)/t20-/m1/s1
Synonyms:[(2~{R})-2-(phenylcarbamoyloxy)-3-piperidin-1-yl-propyl] ~{N}-phenylcarbamate
Definition date:2020-04-27
Last modified:2021-03-01
Release date:2021-01-13
Identifier:[(2~{R})-2-(phenylcarbamoyloxy)-3-piperidin-1-yl-propyl] ~{N}-phenylcarbamate
XTC
XTC
Name:(4S,4aS,5aR,12aS)-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
Formula:C21 H21 N3 O9
SMILES:[O-][N+](=O)c2c(O)c3C(=O)C1=C(O)C4(O)C(=O)C(=C(O)C(N(C)C)C4CC1Cc3cc2)C(=O)N
InChi:InChI=1S/C21H21N3O9/c1-23(2)14-9-6-8-5-7-3-4-10(24(32)33)15(25)11(7)16(26)12(8)18(28)21(9,31)19(29)13(17(14)27)20(22)30/h3-4,8-9,14,25,27-28,31H,5-6H2,1-2H3,(H2,22,30)/t8-,9-,14-,21-/m0/s1
Synonyms:9-NITROTETRACYCLINE
Definition date:2012-05-22
Last modified:2021-03-01
Identifier:(4S,4aS,5aR,12aS)-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
TBY
TBY
Name:tributylstannanyl
Formula:C12 H27 Sn
SMILES:[Sn](CCCC)(CCCC)CCCC
InChi:InChI=1S/3C4H9.Sn.H/c3*1-3-4-2
Synonyms:tributyltin
Definition date:2008-09-05
Last modified:2021-03-01
Identifier:tributylstannane
XTG
XTG
Name:4-NITROPHENYL 6-THIO-6-S-ALPHA-D-XYLOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE
Formula:C17 H23 N O11 S
SMILES:[O-][N+](=O)c3ccc(OC2OC(CSC1OCC(O)C(O)C1O)C(O)C(O)C2O)cc3
InChi:InChI=1S/C17H23NO11S/c19-9-5-27-17(15(24)11(9)20)30-6-10-12(21)13(22)14(23)16(29-10)28-8-3-1-7(2-4-8)18(25)26/h1-4,9-17,19-24H,5-6H2/t9-,10-,11+,12-,13+,14-,15-,16-,17-/m1/s1
Synonyms:4-NITROPHENYL-(6-S-ALPHA-D-XYLOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE
Definition date:2005-11-17
Last modified:2021-03-01
Identifier:4-nitrophenyl 6-thio-6-S-alpha-D-xylopyranosyl-beta-D-glucopyranoside
X1E
X1E
Name:(2S,5R,6R)-6-AMINO-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID
Formula:C8 H12 N2 O3 S
SMILES:O=C(O)C1N2C(=O)C(N)C2SC1(C)C
InChi:InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1
Synonyms:6-AMINOPENICILLANIC ACID
Definition date:2009-12-23
Last modified:2021-03-01
Identifier:(2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MTH
MTH
Name:2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-METHYLSULFANYLMETHYL-TETRAHYDRO-FURAN-3,4-DIOL
Formula:C12 H16 N4 O3 S
SMILES:S(C)CC3OC(n2ccc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C12H16N4O3S/c1-20-4-7-8(17)9(18)12(19-7)16-3-2-6-10(13)14-5-15-11(6)16/h2-3,5,7-9,12,17-18H,4H2,1H3,(H2,13,14,15)/t7-,8-,9-,12-/m1/s1
Synonyms:5'-DEOXY-5'-(METHYLTHIO)-TUBERCIDIN
Definition date:2002-12-12
Last modified:2021-03-01
Identifier:7-(5-S-methyl-5-thio-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
AQ9
AQ9
Name:1-O-[(8alpha,9beta,10alpha,13alpha)-13-(beta-D-glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-beta-D-glucopyranose
Formula:C32 H50 O13
SMILES:C=C1/C5(CC4(C1)CCC3C(C(OC2OC(C(C(O)C2O)O)CO)=O)(C)CCCC3(C4CC5)C)OC6OC(CO)C(O)C(O)C6O
InChi:InChI=1S/C32H50O13/c1-15-11-31-9-5-18-29(2,7-4-8-30(18,3)28(41)44-26-24(39)22(37)20(35)16(12-33)42-26)19(31)6-10-32(15,14-31)45-27-25(40)23(38)21(36)17(13-34)43-27/h16-27,33-40H,1,4-14H2,2-3H3/t16-,17-,18+,19+,20-,21-,22+,23+,24-,25-,26+,27+,29-,30-,31-,32+/m1/s1
Synonyms:Rubusoside
Definition date:2018-11-15
Last modified:2021-03-01
Release date:2019-07-31
Identifier:1-O-[(8alpha,9beta,10alpha,13alpha)-13-(beta-D-glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-beta-D-glucopyranose
36L
36L
Name:(1R,2R,3E,5R,7R,8S,10S,13E,16R)-8-hydroxy-10-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-2,7-dimethyl-6,11,19-trioxatricyclo[14.3.1.0~5,7~]icosa-3,13-diene-12,18-dione
Formula:C35 H47 N O8
SMILES:O=C1OC2C(C=CC4OC4(C(O)CC(OC(=O)C=CCC(C1)C2)C(C)C(OC)C(=CC=CC(=Cc3nc(oc3)C)C)C)C)C
InChi:InChI=1S/C35H47NO8/c1-21(16-27-20-41-25(5)36-27)10-8-11-23(3)34(40-7)24(4)29-19-30(37)35(6)31(44-35)15-14-22(2)28-17-26(18-33(39)42-28)12-9-13-32(38)43-29/h8-11,13-16,20,22,24,26,28-31,34,37H,12,17-19H2,1-7H3/b10-8+,13-9+,15-14+,21-16+,23-11+/t22-,24+,26-,28-,29+,30+,31-,34+,35-/m1/s1
Synonyms:Rhizoxin
Definition date:2014-06-25
Last modified:2021-03-01
Release date:2014-08-27
Identifier:(1R,2R,3E,5R,7R,8S,10S,13E,16R)-8-hydroxy-10-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-2,7-dimethyl-6,11,19-trioxatricyclo[14.3.1.0~5,7~]icosa-3,13-diene-12,18-dione
MTP
MTP
Name:2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-PURIN-9-YL)-TETRAHYDRO-FURAN-3,4-DIOL
Formula:C11 H14 N4 O4 S
SMILES:n2c1c(ncnc1SC)n(c2)C3OC(C(O)C3O)CO
InChi:InChI=1S/C11H14N4O4S/c1-20-10-6-9(12-3-13-10)15(4-14-6)11-8(18)7(17)5(2-16)19-11/h3-5,7-8,11,16-18H,2H2,1H3/t5-,7-,8-,11-/m1/s1
Synonyms:9-BETA-D-RIBOFURANOSYL-6-METHYLTHIOPURINE
Definition date:2003-06-23
Last modified:2021-03-01
Identifier:6-(methylsulfanyl)-9-beta-D-ribofuranosyl-9H-purine
WM2
WM2
Name:cyclohexanecarboxamide
Formula:C7 H13 N O
SMILES:O=C(N)C1CCCCC1
InChi:InChI=1S/C7H13NO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H2,8,9)
Synonyms:Hexahydrobenzamide
Definition date:2013-10-16
Last modified:2021-03-01
Release date:2015-08-12
Identifier:cyclohexanecarboxamide
TCE
TCE
Name:3,3',3''-phosphanetriyltripropanoic acid
Formula:C9 H15 O6 P
SMILES:O=C(O)CCP(CCC(=O)O)CCC(=O)O
InChi:InChI=1S/C9H15O6P/c10-7(11)1-4-16(5-2-8(12)13)6-3-9(14)15/h1-6H2,(H,10,11)(H,12,13)(H,14,15)
Synonyms:3-[bis(2-carboxyethyl)phosphanyl]propanoic acid
Definition date:2009-01-12
Last modified:2021-03-01
Identifier:3,3',3''-phosphanetriyltripropanoic acid
TCF
TCF
Name:3-(4-BROMOPHENYL)PROPANAMIDE
Formula:C9 H10 Br N O
SMILES:Brc1ccc(cc1)CCC(=O)N
InChi:InChI=1S/C9H10BrNO/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H2,11,12)
Synonyms:PARA-BROMO-CIS-2-PHENYLCYCLOPROPYL-1-AMINE
Definition date:2010-03-31
Last modified:2021-03-01
Identifier:3-(4-bromophenyl)propanamide
RPR
RPR
Name:3-[(3'-AMINOMETHYL-BIPHENYL-4-CARBONYL)-AMINO]-2-(3-CARBAMIMIDOYL-BENZYL)-BUTYRIC ACID METHYL ESTER
Formula:C27 H30 N4 O3
SMILES:O=C(OC)C(Cc1cc(C(=[N@H])N)ccc1)C(NC(=O)c3ccc(c2cccc(c2)CN)cc3)C
InChi:InChI=1S/C27H30N4O3/c1-17(24(27(33)34-2)15-18-5-3-8-23(13-18)25(29)30)31-26(32)21-11-9-20(10-12-21)22-7-4-6-19(14-22)16-28/h3-14,17,24H,15-16,28H2,1-2H3,(H3,29,30)(H,31,32)/t17-,24-/m1/s1
Synonyms:RPR128515
Definition date:2000-05-22
Last modified:2021-03-01
Identifier:methyl (2R,3R)-3-({[3'-(aminomethyl)biphenyl-4-yl]carbonyl}amino)-2-(3-carbamimidoylbenzyl)butanoate
AQJ
AQJ
Name:(3R,5R,6S,7S,9R,11E,13S,14R)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-2,4,10-trioxo-1-oxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside
Formula:C28 H47 N O8
SMILES:C1(OC(C(C)C(C(C)C(C(C)CC(C(C=CC1(C)O)=O)C)OC2C(C(CC(C)O2)N(C)C)O)=O)=O)CC
InChi:InChI=1S/C28H47NO8/c1-10-22-28(7,34)12-11-21(30)15(2)13-16(3)25(18(5)23(31)19(6)26(33)36-22)37-27-24(32)20(29(8)9)14-17(4)35-27/h11-12,15-20,22,24-25,27,32,34H,10,13-14H2,1-9H3/b12-11+/t15-,16+,17-,18+,19-,20+,22-,24-,25+,27+,28+/m1/s1
Synonyms:Pikromycin
Definition date:2017-07-24
Last modified:2021-03-01
Release date:2018-02-14
Identifier:(3R,5R,6S,7S,9R,11E,13S,14R)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-2,4,10-trioxo-1-oxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside
TCI
TCI
Name:(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol
Formula:C21 H30 O2
SMILES:CCCCCc1cc(O)c2[CH]3C=C(C)CC[CH]3C(C)(C)Oc2c1
InChi:InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
Synonyms:Tetrahydrocannabinol
Definition date:2010-02-23
Last modified:2021-03-01
Identifier:(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]isochromen-1-ol
NND
NND
Name:(2R,3R,4R,5S)-2-(HYDROXYMETHYL)-1-NONYLPIPERIDINE-3,4,5-TRIOL
Formula:C15 H31 N O4
SMILES:OCC1N(CCCCCCCCC)CC(O)C(O)C1O
InChi:InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1
Synonyms:N-NONYL-DEOXYNOJIRIMYCIN
Definition date:2007-06-18
Last modified:2021-03-01
Identifier:(2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol
TCU
TCU
Name:5-HEXYL-2-(2-METHYLPHENOXY)PHENOL
Formula:C19 H24 O2
SMILES:O(c1c(cccc1)C)c2ccc(cc2O)CCCCCC
InChi:InChI=1S/C19H24O2/c1-3-4-5-6-10-16-12-13-19(17(20)14-16)21-18-11-8-7-9-15(18)2/h7-9,11-14,20H,3-6,10H2,1-2H3
Synonyms:2-(O-TOLYLOXY)-5-HEXYLPHENOL
Definition date:2010-01-10
Last modified:2021-03-01
Identifier:5-hexyl-2-(2-methylphenoxy)phenol
ZMG
ZMG
Name:(5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one
Formula:C12 H13 F N2 O S
SMILES:Fc1ccccc1NC2=NC(=O)C(S2)C(C)C
InChi:InChI=1S/C12H13FN2OS/c1-7(2)10-11(16)15-12(17-10)14-9-6-4-3-5-8(9)13/h3-7,10H,1-2H3,(H,14,15,16)/t10-/m1/s1
Synonyms:(R)-2-(2-fluorophenylamino)-5-isopropylthiazol-4(5H)-one
Definition date:2008-01-09
Last modified:2021-03-01
Identifier:(5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one
Z0M
Z0M
Name:N-[(5R,6R,7R,8S)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDIN-8-YL]-3-SULFANYLPROPANAMIDE
Formula:C19 H25 N3 O4 S
SMILES:O=C(NC2c1nc(cn1C(C(O)C2O)CO)CCc3ccccc3)CCS
InChi:InChI=1S/C19H25N3O4S/c23-11-14-17(25)18(26)16(21-15(24)8-9-27)19-20-13(10-22(14)19)7-6-12-4-2-1-3-5-12/h1-5,10,14,16-18,23,25-27H,6-9,11H2,(H,21,24)/t14-,16-,17-,18-/m1/s1
Synonyms:GLCNACSTATIN F
Definition date:2010-08-26
Last modified:2021-03-01
Identifier:N-[(5R,6R,7R,8S)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-3-sulfanylpropanamide
MUC
MUC
Name:[(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
Formula:C6 H6 O4
SMILES:O=C(O)CC1OC(=O)C=C1
InChi:InChI=1S/C6H6O4/c7-5(8)3-4-1-2-6(9)10-4/h1-2,4H,3H2,(H,7,8)/t4-/m1/s1
Synonyms:muconolactone
Definition date:2008-06-15
Last modified:2021-03-01
Identifier:[(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
XUG
XUG
Name:2'-SE-METHYL-2'-SELENOGUANOSINE 5'-(DIHYDROGEN PHOSPHATE)
Formula:C11 H16 N5 O7 P Se
SMILES:O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3[Se]C)COP(=O)(O)O
InChi:InChI=1S/C11H16N5O7PSe/c1-25-7-6(17)4(2-22-24(19,20)21)23-10(7)16-3-13-5-8(16)14-11(12)15-9(5)18/h3-4,6-7,10,17H,2H2,1H3,(H2,19,20,21)(H3,12,14,15,18)/t4-,6-,7-,10-/m1/s1
Synonyms:(D)-2'-METHYLSELENYL-2'-DEOXYGUANOSINE-5'-PHOSPHATE
Definition date:2006-05-18
Last modified:2021-03-01
Identifier:2'-Se-methyl-2'-selenoguanosine 5'-(dihydrogen phosphate)
OHL
OHL
Name:N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(pyridin-4-ylmethyl)glycinamide
Formula:C15 H17 N3 O5 S
SMILES:O=S(=O)(N(Cc1ccncc1)CC(=O)NO)c2ccc(OC)cc2
InChi:InChI=1S/C15H17N3O5S/c1-23-13-2-4-14(5-3-13)24(21,22)18(11-15(19)17-20)10-12-6-8-16-9-7-12/h2-9,20H,10-11H2,1H3,(H,17,19)
Synonyms:N-Hydroxy-2-(4-methoxy-N-(pyridine-3-ylmethyl)phenylsulfonamido)acetamide
Definition date:2010-08-20
Last modified:2021-03-01
Identifier:N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(pyridin-4-ylmethyl)glycinamide
OHX
OHX
Name:osmium (III) hexammine
Formula:H12 N6 Os
SMILES:N[Os](N)(N)(N)(N)N
InChi:InChI=1S/6H2N.Os/h6*1H2
Synonyms:osmium(6+) hexaazanide
Definition date:2010-11-30
Last modified:2021-03-01
Identifier:osmium(6+) hexaazanide
ARD
ARD
Name:C15-(R)-METHYLTHIENYL RAPAMYCIN
Formula:C55 H81 N O12 S
SMILES:O=C2C(=O)C5(OC(CC(c1sc(cc1)C)C(=CC=CC=CC(C)CC(C(=O)C(OC)C(O)C(=CC(C(=O)CC(OC(=O)C3N2CCCC3)C(C)CC4CCC(O)C(OC)C4)C)C)C)C)CCC5C)O
InChi:InChI=1S/C55H81NO12S/c1-32-16-12-11-13-17-33(2)42(48-24-20-39(8)69-48)30-41-22-19-38(7)55(64,68-41)52(61)53(62)56-25-15-14-18-43(56)54(63)67-46(35(4)28-40-21-23-44(57)47(29-40)65-9)31-45(58)34(3)27-37(6)50(60)51(66-10)49(59)36(5)26-32/h11-13,16-17,20,24,27,32,34-36,38,40-44,46-47,50-51,57,60,64H,14-15,18-19,21-23,25-26,28-31H2,1-10H3/b13-11+,16-12+,33-17+,37-27+/t32-,34-,35-,36-,38-,40+,41+,42-,43+,44-,46+,47-,50-,51+,55-/m1/s1
Synonyms:RAPAMYCIN IMMUNOSUPPRESSANT DRUG
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21R,23S,26R,27R,34aS)-9,27-dihydroxy-3-{(1R)-2-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethyl}-10-methoxy-6,8,12,14,20,26-hexamethyl-21-(5-methylthiophen-2-yl)-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone

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数据于2025-11-12公开中

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