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KA3

KA3
Name:	N-(cyclopropylmethyl)-4-methoxypiperidine-1-carboxamide
Formula:	C11 H20 N2 O2
SMILES:	O=C(NCC1CC1)N1CCC(OC)CC1
InChi:	InChI=1S/C11H20N2O2/c1-15-10-4-6-13(7-5-10)11(14)12-8-9-2-3-9/h9-10H,2-8H2,1H3,(H,12,14)
Definition date:	2023-08-10
Last modified:	2024-08-30
Release date:	2024-09-04
Identifier:	N-(cyclopropylmethyl)-4-methoxypiperidine-1-carboxamide

A1ADE

A1ADE
Name:	methyl 2-chloro-5-(methyl{(8R)-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl}amino)benzoate
Formula:	C25 H21 Cl N4 O4
SMILES:	O=C(OC)c1cc(ccc1Cl)N(C)C(=O)c1ccn2ncc(c2c1)c1ccc(cc1)C(=O)NC
InChi:	InChI=1S/C25H21ClN4O4/c1-27-23(31)16-6-4-15(5-7-16)20-14-28-30-11-10-17(12-22(20)30)24(32)29(2)18-8-9-21(26)19(13-18)25(33)34-3/h4-14H,1-3H3,(H,27,31)
Definition date:	2024-01-20
Last modified:	2024-08-30
Release date:	2024-09-04
Identifier:	methyl 2-chloro-5-(methyl{(8R)-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl}amino)benzoate

A1AWU

A1AWU
Name:	[(2~{R},3~{R},4~{R},5~{S})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl [(2~{R},3~{R},4~{S},5~{R})-2-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate
Formula:	C20 H25 N10 O11 P
SMILES:	NC1=Nc2c(ncn2C2OC(CO)C(O)C2OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(=O)N1
InChi:	InChI=1S/C20H25N10O11P/c21-14-8-15(24-3-23-14)29(4-25-8)18-12(34)10(32)7(40-18)2-38-42(36,37)41-13-11(33)6(1-31)39-19(13)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H2,21,23,24)(H3,22,27,28,35)
Definition date:	2024-07-08
Last modified:	2024-08-30
Release date:	2024-09-04
Identifier:	(2S,3R,4R,5S)-2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl [(2R,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen (S)-phosphate (non-preferred name)

A1AZR

A1AZR
Name:	2-(4-butylbenzene-1-sulfonamido)-5-(4-{3-carboxy-4-[4-(2-methoxyethyl)benzene-1-sulfonamido]anilino}-4-oxobutanamido)benzoic acid
Formula:	C37 H40 N4 O11 S2
SMILES:	O=S(=O)(Nc1ccc(NC(=O)CCC(=O)Nc2cc(C(=O)O)c(NS(=O)(=O)c3ccc(CCCC)cc3)cc2)cc1C(=O)O)c1ccc(CCOC)cc1
InChi:	InChI=1S/C37H40N4O11S2/c1-3-4-5-24-6-12-28(13-7-24)53(48,49)40-32-16-10-26(22-30(32)36(44)45)38-34(42)18-19-35(43)39-27-11-17-33(31(23-27)37(46)47)41-54(50,51)29-14-8-25(9-15-29)20-21-52-2/h6-17,22-23,40-41H,3-5,18-21H2,1-2H3,(H,38,42)(H,39,43)(H,44,45)(H,46,47)
Definition date:	2024-07-24
Last modified:	2024-08-30
Release date:	2024-09-04
Identifier:	2-(4-butylbenzene-1-sulfonamido)-5-(4-{3-carboxy-4-[4-(2-methoxyethyl)benzene-1-sulfonamido]anilino}-4-oxobutanamido)benzoic acid

QZS

QZS
Name:	~{N}-[[3-[3-[4-[2-(8-azanyl-2-methanoyl-quinolin-4-yl)oxyethyl]-1,2,3-triazol-1-yl]propoxy]phenyl]methyl]-4-sulfamoyl-benzamide
Formula:	C31 H31 N7 O6 S
SMILES:	Nc1cccc2c(OCCc3cn(CCCOc4cccc(CNC(=O)c5ccc(cc5)[S](N)(=O)=O)c4)nn3)cc(C=O)nc12
InChi:	InChI=1S/C31H31N7O6S/c32-28-7-2-6-27-29(17-24(20-39)35-30(27)28)44-15-12-23-19-38(37-36-23)13-3-14-43-25-5-1-4-21(16-25)18-34-31(40)22-8-10-26(11-9-22)45(33,41)42/h1-2,4-11,16-17,19-20H,3,12-15,18,32H2,(H,34,40)(H2,33,41,42)
Definition date:	2018-12-04
Last modified:	2024-08-29
Release date:	2019-12-25
Identifier:	~{N}-[[3-[3-[4-[2-(8-azanyl-2-methanoyl-quinolin-4-yl)oxyethyl]-1,2,3-triazol-1-yl]propoxy]phenyl]methyl]-4-sulfamoyl-benzamide

QNL

QNL
Name:	~{N}-[2-methanoyl-4-(2-methylpropoxy)quinolin-8-yl]ethanamide
Formula:	C16 H18 N2 O3
SMILES:	CC(C)COc1cc(C=O)nc2c(NC(C)=O)cccc12
InChi:	InChI=1S/C16H18N2O3/c1-10(2)9-21-15-7-12(8-19)18-16-13(15)5-4-6-14(16)17-11(3)20/h4-8,10H,9H2,1-3H3,(H,17,20)
Definition date:	2018-12-04
Last modified:	2024-08-29
Release date:	2019-12-25
Identifier:	~{N}-[2-methanoyl-4-(2-methylpropoxy)quinolin-8-yl]ethanamide

7I7

7I7
Name:	N-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethyl]-3-sulfanyl-propanamide
Formula:	C12 H24 N2 O5 S
SMILES:	SCCC(=O)NCCOCCOCCOCCNC=O
InChi:	InChI=1S/C12H24N2O5S/c15-11-13-2-4-17-6-8-19-9-7-18-5-3-14-12(16)1-10-20/h11,20H,1-10H2,(H,13,15)(H,14,16)
Definition date:	2021-08-05
Last modified:	2024-08-29
Release date:	2022-07-13
Identifier:	~{N}-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethyl]-3-sulfanyl-propanamide

6H0

6H0
Name:	~{N}-[[3-(4-formamidobutoxy)phenyl]methyl]-4-sulfamoyl-benzamide
Formula:	C19 H23 N3 O5 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2cccc(OCCCCNC=O)c2
InChi:	InChI=1S/C19H23N3O5S/c20-28(25,26)18-8-6-16(7-9-18)19(24)22-13-15-4-3-5-17(12-15)27-11-2-1-10-21-14-23/h3-9,12,14H,1-2,10-11,13H2,(H,21,23)(H,22,24)(H2,20,25,26)
Definition date:	2016-05-24
Last modified:	2024-08-27
Release date:	2017-03-01
Identifier:	~{N}-[[3-(4-formamidobutoxy)phenyl]methyl]-4-sulfamoyl-benzamide

YTI

YTI
Name:	(3R,5R)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)oxolan-3-yl dihydrogen phosphate
Formula:	C9 H13 N2 O7 P
SMILES:	O=P(O)(O)OC1COC(C1)N1C=C(C)C(=O)NC1=O
InChi:	InChI=1S/C9H13N2O7P/c1-5-3-11(9(13)10-8(5)12)7-2-6(4-17-7)18-19(14,15)16/h3,6-7H,2,4H2,1H3,(H,10,12,13)(H2,14,15,16)/t6-,7-/m1/s1
Definition date:	2023-06-20
Last modified:	2024-08-23
Release date:	2024-08-28
Identifier:	(3R,5R)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)oxolan-3-yl dihydrogen phosphate

YKK

YKK
Name:	2-methyl-5-oxidanyl-cyclohexa-2,5-diene-1,4-dione
Formula:	C7 H6 O3
SMILES:	CC1=CC(=O)C(=CC1=O)O
InChi:	InChI=1S/C7H6O3/c1-4-2-6(9)7(10)3-5(4)8/h2-3,10H,1H3
Definition date:	2023-12-05
Last modified:	2024-08-23
Release date:	2024-08-28
Identifier:	2-methyl-5-oxidanyl-cyclohexa-2,5-diene-1,4-dione

SKC

SKC
Name:	(2E,4aR,7aS)-6-[3-(4-chlorophenyl)pyridin-2-yl]-7a-(2,5-difluorophenyl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
Formula:	C24 H20 Cl F2 N5 O
SMILES:	Clc1ccc(cc1)c1cccnc1N1CC2(NC(=N)N(C)C(=O)C2C1)c1cc(F)ccc1F
InChi:	InChI=1S/C24H20ClF2N5O/c1-31-22(33)19-12-32(21-17(3-2-10-29-21)14-4-6-15(25)7-5-14)13-24(19,30-23(31)28)18-11-16(26)8-9-20(18)27/h2-11,19H,12-13H2,1H3,(H2,28,30)/t19-,24+/m0/s1
Definition date:	2023-08-28
Last modified:	2024-08-23
Release date:	2024-08-28
Identifier:	(2E,4aR,7aS)-6-[3-(4-chlorophenyl)pyridin-2-yl]-7a-(2,5-difluorophenyl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one

YMR

YMR
Name:	2-methylcyclohexa-2,5-diene-1,4-dione
Formula:	C7 H6 O2
SMILES:	CC1=CC(=O)C=CC1=O
InChi:	InChI=1S/C7H6O2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
Definition date:	2023-12-06
Last modified:	2024-08-23
Release date:	2024-08-28
Identifier:	2-methylcyclohexa-2,5-diene-1,4-dione

T0F

T0F
Name:	(2E,4aR,7aS)-6-[(3M)-3-(2-chlorophenyl)pyridin-2-yl]-7a-(2,5-difluorophenyl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
Formula:	C24 H20 Cl F2 N5 O
SMILES:	Clc1ccccc1c1cccnc1N1CC2(NC(=N)N(C)C(=O)C2C1)c1cc(F)ccc1F
InChi:	InChI=1S/C24H20ClF2N5O/c1-31-22(33)18-12-32(21-16(6-4-10-29-21)15-5-2-3-7-19(15)25)13-24(18,30-23(31)28)17-11-14(26)8-9-20(17)27/h2-11,18H,12-13H2,1H3,(H2,28,30)/t18-,24+/m0/s1
Definition date:	2023-08-28
Last modified:	2024-08-23
Release date:	2024-08-28
Identifier:	(2E,4aR,7aS)-6-[(3M)-3-(2-chlorophenyl)pyridin-2-yl]-7a-(2,5-difluorophenyl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one

A1H0P

A1H0P
Name:	3-O-sulfo-alpha-D-mannopyranose
Formula:	C6 H12 O9 S
SMILES:	OC[CH]1O[CH](O)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O
InChi:	InChI=1S/C6H12O9S/c7-1-2-3(8)5(15-16(11,12)13)4(9)6(10)14-2/h2-10H,1H2,(H,11,12,13)/t2-,3-,4+,5+,6+/m1/s1
Synonyms:	[(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-3,5,6-tris(oxidanyl)oxan-4-yl] hydrogen sulfate
Definition date:	2023-12-16
Last modified:	2024-08-23
Release date:	2024-08-28
Identifier:	[(2~{R},3~{R},4~{S},5~{S},6~{S})-2-(hydroxymethyl)-3,5,6-tris(oxidanyl)oxan-4-yl] hydrogen sulfate

VI7

VI7
Name:	5-[4-(4-chlorophenoxy)phenyl]-1H-pyrazol-3-amine
Formula:	C15 H12 Cl N3 O
SMILES:	Nc1cc([NH]n1)c1ccc(Oc2ccc(Cl)cc2)cc1
InChi:	InChI=1S/C15H12ClN3O/c16-11-3-7-13(8-4-11)20-12-5-1-10(2-6-12)14-9-15(17)19-18-14/h1-9H,(H3,17,18,19)
Definition date:	2023-09-12
Last modified:	2024-08-23
Release date:	2024-08-28
Identifier:	5-[4-(4-chlorophenoxy)phenyl]-1H-pyrazol-3-amine

A1H6O

A1H6O
Name:	(2S,4R)-1-[(2R)-2-[(1-fluoranylcyclopropyl)carbonylamino]-3-methyl-3-[[cis-4-(morpholin-4-ylmethyl)cyclohexyl]methylsulfanyl]butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
Formula:	C37 H52 F N5 O5 S2
SMILES:	Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)[CH](NC(=O)C4(F)CC4)C(C)(C)SC[CH]5CC[CH](CC5)CN6CCOCC6)cc2
InChi:	InChI=1S/C37H52FN5O5S2/c1-24-31(49-23-40-24)28-10-8-25(9-11-28)19-39-33(45)30-18-29(44)21-43(30)34(46)32(41-35(47)37(38)12-13-37)36(2,3)50-22-27-6-4-26(5-7-27)20-42-14-16-48-17-15-42/h8-11,23,26-27,29-30,32,44H,4-7,12-22H2,1-3H3,(H,39,45)(H,41,47)/t26-,27+,29-,30+,32-/m1/s1
Definition date:	2024-03-26
Last modified:	2024-08-23
Release date:	2024-08-28
Identifier:	(2~{S},4~{R})-1-[(2~{R})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3-methyl-3-[[4-(morpholin-4-ylmethyl)cyclohexyl]methylsulfanyl]butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide

ZT3

ZT3
Name:	N-(4-tert-butylphenyl)-7,8-dimethyl-5,11-dihydro-6H-pyrido[2,3-b][1,5]benzodiazepine-6-carboxamide
Formula:	C25 H28 N4 O
SMILES:	CC(C)(C)c1ccc(cc1)NC(=O)N1Cc2cccnc2Nc2ccc(C)c(C)c21
InChi:	InChI=1S/C25H28N4O/c1-16-8-13-21-22(17(16)2)29(15-18-7-6-14-26-23(18)28-21)24(30)27-20-11-9-19(10-12-20)25(3,4)5/h6-14H,15H2,1-5H3,(H,26,28)(H,27,30)
Definition date:	2023-07-03
Last modified:	2024-08-23
Release date:	2024-08-28
Identifier:	N-(4-tert-butylphenyl)-7,8-dimethyl-5,11-dihydro-6H-pyrido[2,3-b][1,5]benzodiazepine-6-carboxamide

A1H9F

A1H9F
Name:	(2S,4R)-1-[(2R)-2-[(1-fluoranylcyclopropyl)carbonylamino]-3-methyl-3-[[trans-4-(morpholin-4-ylmethyl)cyclohexyl]methylsulfanyl]butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
Formula:	C37 H52 F N5 O5 S2
SMILES:	Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)[CH](NC(=O)C4(F)CC4)C(C)(C)SC[CH]5CC[CH](CC5)CN6CCOCC6)cc2
InChi:	InChI=1S/C37H52FN5O5S2/c1-24-31(49-23-40-24)28-10-8-25(9-11-28)19-39-33(45)30-18-29(44)21-43(30)34(46)32(41-35(47)37(38)12-13-37)36(2,3)50-22-27-6-4-26(5-7-27)20-42-14-16-48-17-15-42/h8-11,23,26-27,29-30,32,44H,4-7,12-22H2,1-3H3,(H,39,45)(H,41,47)/t26-,27-,29-,30+,32-/m1/s1
Definition date:	2024-04-24
Last modified:	2024-08-23
Release date:	2024-08-28
Identifier:	(2~{S},4~{R})-1-[(2~{R})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3-methyl-3-[[4-(morpholin-4-ylmethyl)cyclohexyl]methylsulfanyl]butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide

O94

O94
Name:	2-(4-fluorophenyl)-1-[(3~{S})-3-(6-oxidanyl-1~{H}-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone
Formula:	C19 H19 F N4 O2
SMILES:	Oc1ccc2c([nH]nc2[CH]3CCCN(C3)C(=O)Cc4ccc(F)cc4)n1
InChi:	InChI=1S/C19H19FN4O2/c20-14-5-3-12(4-6-14)10-17(26)24-9-1-2-13(11-24)18-15-7-8-16(25)21-19(15)23-22-18/h3-8,13H,1-2,9-11H2,(H2,21,22,23,25)/t13-/m0/s1
Definition date:	2023-08-22
Last modified:	2024-08-23
Release date:	2024-08-28
Identifier:	2-(4-fluorophenyl)-1-[(3~{S})-3-(6-oxidanyl-1~{H}-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone

W8E

W8E
Name:	3-[(2~{S},3~{R})-7-ethoxy-2-(3-ethoxy-4-methoxy-phenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol
Formula:	C23 H30 O6
SMILES:	CCOc1cc(ccc1OC)[CH]2Oc3c(OCC)cc(CCCO)cc3[CH]2CO
InChi:	InChI=1S/C23H30O6/c1-4-27-20-13-16(8-9-19(20)26-3)22-18(14-25)17-11-15(7-6-10-24)12-21(28-5-2)23(17)29-22/h8-9,11-13,18,22,24-25H,4-7,10,14H2,1-3H3/t18-,22+/m0/s1
Definition date:	2023-09-21
Last modified:	2024-08-23
Release date:	2024-08-28
Identifier:	3-[(2~{S},3~{R})-7-ethoxy-2-(3-ethoxy-4-methoxy-phenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol

W8O

W8O
Name:	3-[(2~{S},3~{R})-2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol
Formula:	C21 H26 O6
SMILES:	COc1ccc(cc1OC)[CH]2Oc3c(OC)cc(CCCO)cc3[CH]2CO
InChi:	InChI=1S/C21H26O6/c1-24-17-7-6-14(11-18(17)25-2)20-16(12-23)15-9-13(5-4-8-22)10-19(26-3)21(15)27-20/h6-7,9-11,16,20,22-23H,4-5,8,12H2,1-3H3/t16-,20+/m0/s1
Definition date:	2023-09-21
Last modified:	2024-08-23
Release date:	2024-08-28
Identifier:	3-[(2~{S},3~{R})-2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol

WCN

WCN
Name:	(4P)-N-{5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl}-4-(2-methoxyphenyl)pyridine-3-carboxamide
Formula:	C22 H17 Cl N4 O3 S
SMILES:	COc1ccccc1c1ccncc1C(=O)Nc1nnc(OCc2ccc(Cl)cc2)s1
InChi:	InChI=1S/C22H17ClN4O3S/c1-29-19-5-3-2-4-17(19)16-10-11-24-12-18(16)20(28)25-21-26-27-22(31-21)30-13-14-6-8-15(23)9-7-14/h2-12H,13H2,1H3,(H,25,26,28)
Definition date:	2023-05-11
Last modified:	2024-08-23
Release date:	2024-08-28
Identifier:	(4P)-N-{5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl}-4-(2-methoxyphenyl)pyridine-3-carboxamide

U00

U00
Name:	3-[4-[3-[3,4-dimethoxy-5-[[4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]methoxy]phenyl]carbonyloxypropyl]-1,4-diazepan-1-yl]propyl 3,4,5-trimethoxybenzoate
Formula:	C37 H48 N3 O12
SMILES:	COc1cc(cc(OC)c1OC)C(=O)OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OCc4ccc(cc4)[N](O)=O)c3)CC2
InChi:	InChI=1S/C37H48N3O12/c1-45-30-21-27(22-31(46-2)34(30)48-4)36(41)50-19-7-15-38-13-6-14-39(18-17-38)16-8-20-51-37(42)28-23-32(47-3)35(49-5)33(24-28)52-25-26-9-11-29(12-10-26)40(43)44/h9-12,21-24H,6-8,13-20,25H2,1-5H3,(H,43,44)
Definition date:	2023-08-28
Last modified:	2024-08-23
Release date:	2024-08-28
Identifier:	3-[4-[3-[3,4-dimethoxy-5-[[4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]methoxy]phenyl]carbonyloxypropyl]-1,4-diazepan-1-yl]propyl 3,4,5-trimethoxybenzoate

A1LWB

A1LWB
Name:	4-farnesyl-3,5-dihydroxy-6-methylphthalide
Formula:	C24 H32 O4
SMILES:	CC(C)=CCCC(C)=CCCC(C)=CCc1c(O)c(C)c2COC(=O)c2c1O
InChi:	InChI=1S/C24H32O4/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-19-22(25)18(5)20-14-28-24(27)21(20)23(19)26/h8,10,12,25-26H,6-7,9,11,13-14H2,1-5H3
Synonyms:	4-methyl-5,7-bis(oxidanyl)-6-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]-3~{H}-2-benzofuran-1-one
Definition date:	2024-01-15
Last modified:	2024-08-23
Release date:	2024-08-28
Identifier:	4-methyl-5,7-bis(oxidanyl)-6-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]-3~{H}-2-benzofuran-1-one

A1LWD

A1LWD
Name:	O-desmethyl mycophenolic acid
Formula:	C16 H18 O6
SMILES:	CC(CCC(O)=O)=CCc1c(O)c(C)c2COC(=O)c2c1O
InChi:	InChI=1S/C16H18O6/c1-8(4-6-12(17)18)3-5-10-14(19)9(2)11-7-22-16(21)13(11)15(10)20/h3,19-20H,4-7H2,1-2H3,(H,17,18)
Synonyms:	(~{E})-4-methyl-6-[7-methyl-4,6-bis(oxidanyl)-3-oxidanylidene-1~{H}-2-benzofuran-5-yl]hex-4-enoic acid
Definition date:	2024-01-15
Last modified:	2024-08-23
Release date:	2024-08-28
Identifier:	(~{E})-4-methyl-6-[7-methyl-4,6-bis(oxidanyl)-3-oxidanylidene-1~{H}-2-benzofuran-5-yl]hex-4-enoic acid

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