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V08

V08
Name:	(2 {R},3 {S})-3-methanoyl-4-methyl-2-hydroxy-pentanoic acid
Formula:	C7 H12 O4
SMILES:	CC(C)[CH](C=O)[CH](O)C(O)=O
InChi:	InChI=1S/C7H12O4/c1-4(2)5(3-8)6(9)7(10)11/h3-6,9H,1-2H3,(H,10,11)/t5-,6+/m0/s1
Definition date:	2021-03-31
Last modified:	2022-04-08
Release date:	2022-04-13
Identifier:	(2~{R},3~{S})-3-methanoyl-4-methyl-2-oxidanyl-pentanoic acid

V0E

V0E
Name:	2-[4-[(2S)-3-(6-chloro-4-oxoquinazolin-3-yl)-2-hydroxypropoxy]phenyl]acetonitrile
Formula:	C19 H16 Cl N3 O3
SMILES:	O[CH](COc1ccc(CC#N)cc1)CN2C=Nc3ccc(Cl)cc3C2=O
InChi:	InChI=1S/C19H16ClN3O3/c20-14-3-6-18-17(9-14)19(25)23(12-22-18)10-15(24)11-26-16-4-1-13(2-5-16)7-8-21/h1-6,9,12,15,24H,7,10-11H2/t15-/m0/s1
Synonyms:	2-[4-[(2~{S})-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenyl]ethanenitrile
Definition date:	2021-03-31
Last modified:	2022-04-08
Release date:	2022-04-13
Identifier:	2-[4-[(2~{S})-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenyl]ethanenitrile

V0H

V0H
Name:	2-[4-[(2S)-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenoxy]ethanenitrile
Formula:	C19 H16 Cl N3 O4
SMILES:	O[CH](COc1ccc(OCC#N)cc1)CN2C=Nc3ccc(Cl)cc3C2=O
InChi:	InChI=1S/C19H16ClN3O4/c20-13-1-6-18-17(9-13)19(25)23(12-22-18)10-14(24)11-27-16-4-2-15(3-5-16)26-8-7-21/h1-6,9,12,14,24H,8,10-11H2/t14-/m0/s1
Synonyms:	2-[4-[(2~{S})-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenoxy]ethanenitrile
Definition date:	2021-03-31
Last modified:	2022-04-08
Release date:	2022-04-13
Identifier:	2-[4-[(2~{S})-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenoxy]ethanenitrile

V1J

V1J
Name:	3,6,9,12,15,18,21,24,27,30,33,36,39,42,45-pentadecaoxaoctatetracontane-1,48-diol
Formula:	C33 H68 O17
SMILES:	C(O)COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCO
InChi:	InChI=1S/C33H68O17/c34-2-1-4-36-6-8-38-10-12-40-14-16-42-18-20-44-22-24-46-26-28-48-30-32-50-33-31-49-29-27-47-25-23-45-21-19-43-17-15-41-13-11-39-9-7-37-5-3-35/h34-35H,1-33H2
Definition date:	2020-06-12
Last modified:	2022-04-08
Release date:	2022-04-13
Identifier:	3,6,9,12,15,18,21,24,27,30,33,36,39,42,45-pentadecaoxaoctatetracontane-1,48-diol

9FT

9FT
Name:	(3R)-3-(4-methoxyphenyl)piperidine-2,6-dione
Formula:	C12 H13 N O3
SMILES:	O=C1NC(=O)CCC1c1ccc(OC)cc1
InChi:	InChI=1S/C12H13NO3/c1-16-9-4-2-8(3-5-9)10-6-7-11(14)13-12(10)15/h2-5,10H,6-7H2,1H3,(H,13,14,15)/t10-/m1/s1
Definition date:	2021-10-11
Last modified:	2022-04-08
Release date:	2022-04-13
Identifier:	(3R)-3-(4-methoxyphenyl)piperidine-2,6-dione

06A

06A
Name:	1-cyclopentyl-6-[[(2R)-1-(6-fluoranyl-2-azaspiro[3.3]heptan-2-yl)-1-oxidanylidene-propan-2-yl]amino]-5H-pyrazolo[3,4-d]pyrimidin-4-one
Formula:	C19 H25 F N6 O2
SMILES:	C[CH](NC1=Nc2n(ncc2C(=O)N1)C3CCCC3)C(=O)N4CC5(CC(F)C5)C4
InChi:	InChI=1S/C19H25FN6O2/c1-11(17(28)25-9-19(10-25)6-12(20)7-19)22-18-23-15-14(16(27)24-18)8-21-26(15)13-4-2-3-5-13/h8,11-13H,2-7,9-10H2,1H3,(H2,22,23,24,27)/t11-/m1/s1
Definition date:	2021-06-07
Last modified:	2022-04-08
Release date:	2022-04-13
Identifier:	1-cyclopentyl-6-[[(2~{R})-1-(6-fluoranyl-2-azaspiro[3.3]heptan-2-yl)-1-oxidanylidene-propan-2-yl]amino]-5~{H}-pyrazolo[3,4-d]pyrimidin-4-one

EKF

EKF
Name:	N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
Formula:	C23 H24 N6 O
SMILES:	CN(C)Cc1ccc(cc1)c2cnc(NCc3cccc4OCCc34)n5cnnc25
InChi:	InChI=1S/C23H24N6O/c1-28(2)14-16-6-8-17(9-7-16)20-13-25-23(29-15-26-27-22(20)29)24-12-18-4-3-5-21-19(18)10-11-30-21/h3-9,13,15H,10-12,14H2,1-2H3,(H,24,25)
Definition date:	2020-01-08
Last modified:	2022-04-08
Release date:	2022-04-13
Identifier:	~{N}-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

EKR

EKR
Name:	N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
Formula:	C23 H24 N6 O
SMILES:	CN(C)Cc1ccc(cc1)c2cnc(NCc3cccc4CCOc34)n5cnnc25
InChi:	InChI=1S/C23H24N6O/c1-28(2)14-16-6-8-17(9-7-16)20-13-25-23(29-15-26-27-22(20)29)24-12-19-5-3-4-18-10-11-30-21(18)19/h3-9,13,15H,10-12,14H2,1-2H3,(H,24,25)
Definition date:	2020-01-08
Last modified:	2022-04-08
Release date:	2022-04-13
Identifier:	~{N}-(2,3-dihydro-1-benzofuran-7-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

YV1

YV1
Name:	(3,5-dichlorophenyl)methyl (3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepine-6(1H)-carboxylate
Formula:	C23 H23 Cl2 N5 O3
SMILES:	Clc1cc(cc(Cl)c1)COC(=O)N1CCC2CN(CC2CC1)C(=O)c1cc2nn[NH]c2cc1
InChi:	InChI=1S/C23H23Cl2N5O3/c24-18-7-14(8-19(25)10-18)13-33-23(32)29-5-3-16-11-30(12-17(16)4-6-29)22(31)15-1-2-20-21(9-15)27-28-26-20/h1-2,7-10,16-17H,3-6,11-13H2,(H,26,27,28)
Definition date:	2021-04-01
Last modified:	2022-04-08
Release date:	2022-04-13
Identifier:	(3,5-dichlorophenyl)methyl (3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepine-6(1H)-carboxylate

YVS

YVS
Name:	[4-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
Formula:	C22 H20 F3 N5 O4
SMILES:	FC(F)(F)Oc1ccc(cc1)COC(=O)N1CC2CN(CC2C1)C(=O)c1cc2nn[NH]c2cc1
InChi:	InChI=1S/C22H20F3N5O4/c23-22(24,25)34-17-4-1-13(2-5-17)12-33-21(32)30-10-15-8-29(9-16(15)11-30)20(31)14-3-6-18-19(7-14)27-28-26-18/h1-7,15-16H,8-12H2,(H,26,27,28)
Definition date:	2021-04-01
Last modified:	2022-04-08
Release date:	2022-04-13
Identifier:	[4-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate

YZT

YZT
Name:	6-deoxy-6-sulfo-beta-D-glucopyranose
Formula:	C6 H12 O8 S
SMILES:	O=S(=O)(O)CC1OC(O)C(O)C(O)C1O
InChi:	InChI=1S/C6H12O8S/c7-3-2(1-15(11,12)13)14-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12,13)/t2-,3-,4+,5-,6-/m1/s1
Definition date:	2012-12-18
Last modified:	2022-04-08
Release date:	2022-04-13
Identifier:	6-deoxy-6-sulfo-beta-D-glucopyranose

4SC

4SC
Name:	2'-deoxy-5-methyl-4'-thiocytidine 5'-(dihydrogen phosphate)
Formula:	C10 H16 N3 O6 P S
SMILES:	O=P(O)(O)OCC1SC(CC1O)N1C=C(C)C(N)=NC1=O
InChi:	InChI=1S/C10H16N3O6PS/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(21-8)4-19-20(16,17)18/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
Definition date:	1999-07-08
Last modified:	2022-04-07
Identifier:	2'-deoxy-5-methyl-4'-thiocytidine 5'-(dihydrogen phosphate)

05J

05J
Name:	1-[(7R)-7-ethyl-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one
Formula:	C29 H34 N8 O2
SMILES:	CN1CCN(CC1)c1ccc(cc1)Nc1ncc2C(=O)N(CC=C)N(c2n1)c1ccc2CCC(O)(CC)c2n1
InChi:	InChI=1S/C29H34N8O2/c1-4-14-36-27(38)23-19-30-28(31-21-7-9-22(10-8-21)35-17-15-34(3)16-18-35)33-26(23)37(36)24-11-6-20-12-13-29(39,5-2)25(20)32-24/h4,6-11,19,39H,1,5,12-18H2,2-3H3,(H,30,31,33)/t29-/m1/s1
Definition date:	2021-06-02
Last modified:	2022-04-07
Release date:	2021-09-01
Identifier:	1-[(7R)-7-ethyl-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one

P1P

P1P
Name:	3-{[OXIDO(OXO)PHOSPHINO]OXY}PROPAN-1-OLATE
Formula:	C3 H6 O4 P
SMILES:	[O-][PH2+](=O)OCCC[O-]
InChi:	InChI=1S/C3H6O4P/c4-2-1-3-7-8(5)6/h1-3H2/q-1
Synonyms:	PROPYL-1-PHOSPHATE
Definition date:	2005-09-15
Last modified:	2022-04-07
Identifier:	(3-oxidopropoxy)(oxo)phosphoniumolate

MLX

MLX
Name:	N-{3-[(2-chloro-acetyl)-(4-nitro-phenyl)-amino]-propyl}-2,2,2-trifluoro-acetamide
Formula:	C13 H13 Cl F3 N3 O4
SMILES:	FC(F)(F)C(=O)NCCCN(C(=O)CCl)c1ccc(cc1)[N+]([O-])=O
InChi:	InChI=1S/C13H13ClF3N3O4/c14-8-11(21)19(7-1-6-18-12(22)13(15,16)17)9-2-4-10(5-3-9)20(23)24/h2-5H,1,6-8H2,(H,18,22)
Definition date:	2017-03-09
Last modified:	2022-04-05
Release date:	2017-12-20
Identifier:	N-{3-[(chloroacetyl)(4-nitrophenyl)amino]propyl}-2,2,2-trifluoroacetamide

E9D

E9D
Name:	Heteroaryldihydropyrimidine tetramethylrodamine
Formula:	C51 H48 Cl F N8 O7
SMILES:	O=C(OC)c1c(nc(nc1CN1CCN(CC1)C(=O)CCCNC(=O)c1cc(C=2c3ccc(cc3OC3=CC(C=CC=23)=[N+](/C)C)N(C)C)c(cc1)C([O-])=O)c1ccccn1)c1ccc(F)cc1Cl
InChi:	InChI=1S/C51H48ClFN8O7/c1-58(2)32-13-17-36-42(27-32)68-43-28-33(59(3)4)14-18-37(43)45(36)38-25-30(11-15-34(38)50(64)65)49(63)55-20-8-10-44(62)61-23-21-60(22-24-61)29-41-46(51(66)67-5)47(35-16-12-31(53)26-39(35)52)57-48(56-41)40-9-6-7-19-54-40/h6-7,9,11-19,25-28H,8,10,20-24,29H2,1-5H3,(H-,55,63,64,65)
Synonyms:	HAP-TAMRA
Definition date:	2017-12-13
Last modified:	2022-04-05
Release date:	2018-02-07
Identifier:	(2P)-4-{[4-(4-{[(2M,6M)-6-(2-chloro-4-fluorophenyl)-5-(methoxycarbonyl)-2-(pyridin-2-yl)pyrimidin-4-yl]methyl}piperazin-1-yl)-4-oxobutyl]carbamoyl}-2-{[4aP,9(9a)P]-6-(dimethylamino)-3-(dimethyliminio)-3H-xanthen-9-yl}benzoate

XZD

XZD
Name:	Phosphoric acid mono-[5-(5-{4-[2-(4-chloro-phenyl)-4,4-dimethyl-cyclohex-1-enylmethyl]-piperazin-1-yl}-2-{3-nitro-4-[(tetrahydro-pyran-4-ylmethyl)-amino]-benzenesulfonylaminocarbonyl}-phenoxy)-pyrrolo[2,3-b]pyridin-7-ylmethyl] ester
Formula:	C46 H53 Cl N7 O11 P S
SMILES:	Clc1ccc(cc1)C=1CC(C)(C)CCC=1CN1CCN(CC1)c1ccc(c(OC=2C=C3C=CN=C3N(COP(=O)(O)O)C=2)c1)C(=O)NS(=O)(=O)c1ccc(NCC2CCOCC2)c(c1)[N+]([O-])=O
InChi:	InChI=1S/C46H53ClN7O11PS/c1-46(2)15-11-34(40(26-46)32-3-5-35(47)6-4-32)28-51-17-19-52(20-18-51)36-7-9-39(43(24-36)65-37-23-33-12-16-48-44(33)53(29-37)30-64-66(58,59)60)45(55)50-67(61,62)38-8-10-41(42(25-38)54(56)57)49-27-31-13-21-63-22-14-31/h3-10,12,16,23-25,29,31,49H,11,13-15,17-22,26-28,30H2,1-2H3,(H,50,55)(H2,58,59,60)
Definition date:	2021-01-22
Last modified:	2022-04-05
Release date:	2021-04-14
Identifier:	[(3aP)-5-(5-{4-[(4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro[1,1'-biphenyl]-2-yl)methyl]piperazin-1-yl}-2-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}benzene-1-sulfonyl)carbamoyl]phenoxy)-7H-pyrrolo[2,3-b]pyridin-7-yl]methyl dihydrogen phosphate

GOV

GOV
Name:	(2S)-1-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}propan-2-ol
Formula:	C11 H15 N O3
SMILES:	CC(O)CNCc1ccc2OCOc2c1
InChi:	InChI=1S/C11H15NO3/c1-8(13)5-12-6-9-2-3-10-11(4-9)15-7-14-10/h2-4,8,12-13H,5-7H2,1H3/t8-/m0/s1
Definition date:	2018-05-31
Last modified:	2022-04-04
Release date:	2018-12-19
Identifier:	(2S)-1-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}propan-2-ol

ZEV

ZEV
Name:	(2R,5R,7R,8S,10R,12aR,14R,15S,15aR,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-15,16-difluoro-2,10-bis(sulfanyl)octahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione
Formula:	C20 H20 F2 N10 O9 P2 S2
SMILES:	NC1=Nc2c(ncn2C2OC3COP([O-])(=S)OC4C(F)C(OC4COP([O-])(=S)OC2C3F)n2cnc3c(N)ncnc32)C(=O)N1
InChi:	InChI=1S/C20H22F2N10O9P2S2/c21-8-6-1-36-42(34,44)40-12-7(39-18(9(12)22)31-4-27-10-14(23)25-3-26-15(10)31)2-37-43(35,45)41-13(8)19(38-6)32-5-28-11-16(32)29-20(24)30-17(11)33/h3-9,12-13,18-19H,1-2H2,(H,34,44)(H,35,45)(H2,23,25,26)(H3,24,29,30,33)/p-2/t6-,7-,8-,9+,12-,13-,18-,19-,42-,43-/m1/s1
Definition date:	2021-04-15
Last modified:	2022-04-01
Release date:	2022-04-06
Identifier:	(2R,5R,7R,8S,10R,12aR,14R,15S,15aR,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-15,16-difluoro-2,10-bis(sulfanylidene)octahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-bis(olate)

2IX

2IX
Name:	N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-N-methyl-1-(prop-2-enoyl)piperidine-4-carboxamide
Formula:	C28 H37 F2 N11 O4
SMILES:	C=CC(=O)N1CCC(CC1)C(=O)N(C)CC(=O)N1CCN(CC1)c1nc(nc(n1)c1cnc(N)nc1C(F)F)N1CCOCC1
InChi:	InChI=1S/C28H37F2N11O4/c1-3-20(42)38-6-4-18(5-7-38)25(44)37(2)17-21(43)39-8-10-40(11-9-39)27-34-24(19-16-32-26(31)33-22(19)23(29)30)35-28(36-27)41-12-14-45-15-13-41/h3,16,18,23H,1,4-15,17H2,2H3,(H2,31,32,33)
Definition date:	2021-06-30
Last modified:	2022-04-01
Release date:	2022-04-06
Identifier:	N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-N-methyl-1-(prop-2-enoyl)piperidine-4-carboxamide

2Q7

2Q7
Name:	N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-1-(prop-2-enoyl)piperidine-4-carboxamide
Formula:	C27 H35 F2 N11 O4
SMILES:	C=CC(=O)N1CCC(CC1)C(=O)NCC(=O)N1CCN(CC1)c1nc(nc(n1)c1cnc(N)nc1C(F)F)N1CCOCC1
InChi:	InChI=1S/C27H35F2N11O4/c1-2-19(41)37-5-3-17(4-6-37)24(43)31-16-20(42)38-7-9-39(10-8-38)26-34-23(18-15-32-25(30)33-21(18)22(28)29)35-27(36-26)40-11-13-44-14-12-40/h2,15,17,22H,1,3-14,16H2,(H,31,43)(H2,30,32,33)
Definition date:	2021-06-30
Last modified:	2022-04-01
Release date:	2022-04-06
Identifier:	N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-1-(prop-2-enoyl)piperidine-4-carboxamide

I0O

I0O
Name:	4-amino-4-deoxy-1-O-[(S)-hydroxy{[(2E,6E,10Z,14Z,18Z,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]oxy}phosphoryl]-alpha-L-arabinopyranose
Formula:	C50 H84 N O7 P
SMILES:	OP(=O)(OC1OCC(N)C(O)C1O)OCC=C(/C)CCC=C(/C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C
InChi:	InChI=1S/C50H84NO7P/c1-38(2)19-11-20-39(3)21-12-22-40(4)23-13-24-41(5)25-14-26-42(6)27-15-28-43(7)29-16-30-44(8)31-17-32-45(9)33-18-34-46(10)35-36-57-59(54,55)58-50-49(53)48(52)47(51)37-56-50/h19,21,23,25,27,29,31,33,35,47-50,52-53H,11-18,20,22,24,26,28,30,32,34,36-37,51H2,1-10H3,(H,54,55)/b39-21+,40-23+,41-25+,42-27-,43-29-,44-31-,45-33+,46-35+/t47-,48-,49+,50-/m0/s1
Definition date:	2022-01-04
Last modified:	2022-04-01
Release date:	2022-04-06
Identifier:	4-amino-4-deoxy-1-O-[(S)-hydroxy{[(2E,6E,10Z,14Z,18Z,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]oxy}phosphoryl]-alpha-L-arabinopyranose

I1T

I1T
Name:	(1S,3R,4S)-3-formyl-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopentane-1-carboxylic acid
Formula:	C15 H21 N2 O8 P
SMILES:	O=P(O)(O)OCc1c[nH+]c(C)c([O-])c1C[NH2+]C1CC(CC1C=O)C([O-])=O
InChi:	InChI=1S/C15H21N2O8P/c1-8-14(19)12(11(4-16-8)7-25-26(22,23)24)5-17-13-3-9(15(20)21)2-10(13)6-18/h4,6,9-10,13,17,19H,2-3,5,7H2,1H3,(H,20,21)(H2,22,23,24)/t9-,10-,13-/m0/s1
Definition date:	2022-01-06
Last modified:	2022-04-01
Release date:	2022-04-06
Identifier:	(1S,3R,4S)-3-formyl-4-[({2-methyl-3-oxido-5-[(phosphonooxy)methyl]pyridin-1-ium-4-yl}methyl)azaniumyl]cyclopentane-1-carboxylate

I2V

I2V
Name:	(1S,3S,4S)-3-amino-4-(fluoromethyl)cyclopentane-1-carboxylic acid
Formula:	C7 H12 F N O2
SMILES:	FCC1CC(CC1N)C(=O)O
InChi:	InChI=1S/C7H12FNO2/c8-3-5-1-4(7(10)11)2-6(5)9/h4-6H,1-3,9H2,(H,10,11)/t4-,5+,6-/m0/s1
Definition date:	2022-01-07
Last modified:	2022-04-01
Release date:	2022-04-06
Identifier:	(1S,3S,4S)-3-amino-4-(fluoromethyl)cyclopentane-1-carboxylic acid

1L3

1L3
Name:	Menaquinone-4
Formula:	C31 H40 O2
SMILES:	CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O
InChi:	InChI=1S/C31H40O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,12,14,16,18-20H,9-11,13,15,17,21H2,1-6H3/b23-14+,24-16+,25-20+
Synonyms:	vitamin K2
Definition date:	2021-07-02
Last modified:	2022-04-01
Release date:	2022-04-06
Identifier:	2-methyl-3-[(2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]naphthalene-1,4-dione

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