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ISK

ISK
Name:	2-acetamido-N-(3-bromanylprop-2-ynyl)ethanamide
Formula:	C7 H9 Br N2 O2
SMILES:	CC(=O)NCC(=O)NCC#CBr
InChi:	InChI=1S/C7H9BrN2O2/c1-6(11)10-5-7(12)9-4-2-3-8/h4-5H2,1H3,(H,9,12)(H,10,11)
Definition date:	2022-04-11
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	2-acetamido-~{N}-(3-bromanylprop-2-ynyl)ethanamide

IT4

IT4
Name:	4-bromanyl-2-oxidanyl-benzoic acid
Formula:	C7 H5 Br O3
SMILES:	OC(=O)c1ccc(Br)cc1O
InChi:	InChI=1S/C7H5BrO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11)
Definition date:	2022-04-11
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	4-bromanyl-2-oxidanyl-benzoic acid

IT8

IT8
Name:	(2R)-2-acetamido-N-(3-bromanylprop-2-ynyl)-3-methyl-butanamide
Formula:	C10 H15 Br N2 O2
SMILES:	CC(C)[CH](NC(C)=O)C(=O)NCC#CBr
InChi:	InChI=1S/C10H15BrN2O2/c1-7(2)9(13-8(3)14)10(15)12-6-4-5-11/h7,9H,6H2,1-3H3,(H,12,15)(H,13,14)/t9-/m1/s1
Definition date:	2022-04-12
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(2~{R})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)-3-methyl-butanamide

VVB

VVB
Name:	bis(oxidanyl)vanadium
Formula:	H2 O2 V
SMILES:	O[V]O
InChi:	InChI=1S/2H2O.V/h2*1H2
Definition date:	2022-05-13
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	bis(oxidanyl)vanadium

U9P

U9P
Name:	(5M)-N-methyl-5-{(6M,8S)-5-{[(3S)-oxolan-3-yl]amino}-6-[1-(propan-2-yl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl}pyridine-3-carboxamide
Formula:	C23 H26 N8 O2
SMILES:	CC(C)n1ccc(n1)c1cn2ncc(c2nc1NC1CCOC1)c1cc(cnc1)C(=O)NC
InChi:	InChI=1S/C23H26N8O2/c1-14(2)30-6-4-20(29-30)19-12-31-22(28-21(19)27-17-5-7-33-13-17)18(11-26-31)15-8-16(10-25-9-15)23(32)24-3/h4,6,8-12,14,17H,5,7,13H2,1-3H3,(H,24,32)(H,27,28)/t17-/m0/s1
Definition date:	2022-08-12
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(5M)-N-methyl-5-{(6M,8S)-5-{[(3S)-oxolan-3-yl]amino}-6-[1-(propan-2-yl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl}pyridine-3-carboxamide

IV1

IV1
Name:	(1R,3S,5Z)-5-[(E)-3-[3,5-bis(6-methyl-6-oxidanyl-heptyl)phenyl]prop-2-enylidene]-4-methylidene-cyclohexane-1,3-diol
Formula:	C32 H50 O4
SMILES:	CC(C)(O)CCCCCc1cc(CCCCCC(C)(C)O)cc(C=CC=C2C[CH](O)C[CH](O)C2=C)c1
InChi:	InChI=1S/C32H50O4/c1-24-28(22-29(33)23-30(24)34)16-12-15-27-20-25(13-8-6-10-17-31(2,3)35)19-26(21-27)14-9-7-11-18-32(4,5)36/h12,15-16,19-21,29-30,33-36H,1,6-11,13-14,17-18,22-23H2,2-5H3/b15-12+,28-16-/t29-,30+/m1/s1
Definition date:	2022-04-13
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(1~{R},3~{S},5~{Z})-5-[(~{E})-3-[3,5-bis(6-methyl-6-oxidanyl-heptyl)phenyl]prop-2-enylidene]-4-methylidene-cyclohexane-1,3-diol

WUW

WUW
Name:	(1R,4R,5R,6S)-2-(methanesulfonyl)-4,6-dimethoxy-2-azabicyclo[3.3.1]nonane
Formula:	C11 H21 N O4 S
SMILES:	CS(=O)(=O)N1CC(OC)C2CC1CCC2OC
InChi:	InChI=1S/C11H21NO4S/c1-15-10-5-4-8-6-9(10)11(16-2)7-12(8)17(3,13)14/h8-11H,4-7H2,1-3H3/t8-,9-,10+,11+/m1/s1
Definition date:	2022-10-20
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(1R,4R,5R,6S)-2-(methanesulfonyl)-4,6-dimethoxy-2-azabicyclo[3.3.1]nonane

IV5

IV5
Name:	(1R,3S,5Z)-4-methylidene-5-[(E)-9-methyl-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]-9-oxidanyl-dec-2-enylidene]cyclohexane-1,3-diol
Formula:	C32 H50 O4
SMILES:	CC(C)(O)CCCCCc1cccc(c1)C(CCCCCC(C)(C)O)=CC=C2C[CH](O)C[CH](O)C2=C
InChi:	InChI=1S/C32H50O4/c1-24-27(22-29(33)23-30(24)34)18-17-26(15-9-7-11-20-32(4,5)36)28-16-12-14-25(21-28)13-8-6-10-19-31(2,3)35/h12,14,16-18,21,29-30,33-36H,1,6-11,13,15,19-20,22-23H2,2-5H3/b26-17+,27-18-/t29-,30+/m1/s1
Definition date:	2022-04-13
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-9-methyl-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]-9-oxidanyl-dec-2-enylidene]cyclohexane-1,3-diol

K9I

K9I
Name:	(3R,4S,7S,9S,11S)-3,4,11-trihydroxy-7-((R,Z)-4-(hydroxymethyl)hex-2-en-2-yl)-9-methoxy-12,12-dimethyl-6-oxa-1(1,3)-benzenacyclododecaphan-5-one
Formula:	C26 H40 O7
SMILES:	CC[CH](CO)C=C(C)[CH]1C[CH](C[CH](O)C(C)(C)c2cccc(C[CH](O)[CH](O)C(=O)O1)c2)OC
InChi:	InChI=1S/C26H40O7/c1-6-17(15-27)10-16(2)22-13-20(32-5)14-23(29)26(3,4)19-9-7-8-18(11-19)12-21(28)24(30)25(31)33-22/h7-11,17,20-24,27-30H,6,12-15H2,1-5H3/b16-10-/t17-,20-,21-,22+,23+,24+/m1/s1
Definition date:	2022-05-23
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(3~{R},4~{S},7~{S},9~{S},11~{S})-7-[(~{Z},4~{R})-4-(hydroxymethyl)hex-2-en-2-yl]-9-methoxy-12,12-dimethyl-3,4,11-tris(oxidanyl)-6-oxabicyclo[11.3.1]heptadeca-1(17),13,15-trien-5-one

0IE

0IE
Name:	Siphonaxanthin
Formula:	C40 H56 O4
SMILES:	CC1=C(CC(=O)C(CO)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C[CH]2C(=C[CH](O)CC2(C)C)C)C(C)(C)C[CH](O)C1
InChi:	InChI=1S/C40H56O4/c1-28(16-12-17-30(3)20-21-36-31(4)22-34(42)25-39(36,6)7)14-10-11-15-29(2)18-13-19-33(27-41)38(44)24-37-32(5)23-35(43)26-40(37,8)9/h10-22,34-36,41-43H,23-27H2,1-9H3/b11-10+,16-12+,18-13+,21-20+,28-14+,29-15+,30-17+,33-19+/t34-,35+,36-/m0/s1
Definition date:	2022-01-21
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3-(hydroxymethyl)-7,12,16-trimethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]-1-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-2-one

KGL

KGL
Name:	(1^4Z,5^2E)-6^3-(trifluoromethyl)-5^1,5^6-dihydro-1^1H-8-aza-2(3,6)-quinolina-5(1,3)-pyridazina-1(4,1)-pyrazola-6(1,4)-benzenacyclododecaphane-5^6,7-dione
Formula:	C30 H25 F3 N6 O2
SMILES:	FC(F)(F)c1cc2ccc1C(=O)NCCCCn3cc(cn3)c4cnc5ccc(CC[N]6N=C2C=CC6=O)cc5c4
InChi:	InChI=1S/C30H25F3N6O2/c31-30(32,33)25-15-20-4-5-24(25)29(41)34-10-1-2-11-38-18-23(17-36-38)22-14-21-13-19(3-6-26(21)35-16-22)9-12-39-28(40)8-7-27(20)37-39/h3-8,13-18H,1-2,9-12H2,(H,34,41)
Definition date:	2022-09-20
Last modified:	2022-11-18
Release date:	2022-11-23

KVU

KVU
Name:	1-(2,4-dichlorophenyl)-3-oxidanyl-urea
Formula:	C7 H6 Cl2 N2 O2
SMILES:	ONC(=O)Nc1ccc(Cl)cc1Cl
InChi:	InChI=1S/C7H6Cl2N2O2/c8-4-1-2-6(5(9)3-4)10-7(12)11-13/h1-3,13H,(H2,10,11,12)
Definition date:	2022-06-07
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	1-(2,4-dichlorophenyl)-3-oxidanyl-urea

9IR

9IR
Name:	(4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene
Formula:	C10 H16
SMILES:	CC1=CCC(CC1)C(C)=C
InChi:	InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1
Synonyms:	R-(+)-limonene
Definition date:	2021-10-18
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene

9IU

9IU
Name:	(4S)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene
Formula:	C10 H16
SMILES:	CC1=CCC(CC1)C(C)=C
InChi:	InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m1/s1
Synonyms:	S-(-)-limonene
Definition date:	2021-10-18
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(4S)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene

9J9

9J9
Name:	(6R)-4-hydroxy-6-methyl-3-(propan-2-yl)cyclohexa-2,4-dien-1-one
Formula:	C10 H14 O2
SMILES:	O=C1C=C(C(C)C)C(O)=CC1C
InChi:	InChI=1S/C10H14O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-7,12H,1-3H3
Definition date:	2021-10-18
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(6R)-4-hydroxy-6-methyl-3-(propan-2-yl)cyclohexa-2,4-dien-1-one

9MI

9MI
Name:	1-methyl-4-(propan-2-yl)cyclohexa-1,3-diene
Formula:	C10 H16
SMILES:	CC(C)C1=CC=C(C)CC1
InChi:	InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3
Definition date:	2021-10-20
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	1-methyl-4-(propan-2-yl)cyclohexa-1,3-diene

M0I

M0I
Name:	4-({N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)benzamido}methyl)-3-fluoro-N-hydroxybenzamide
Formula:	C26 H27 F N4 O4
SMILES:	CN(C)c1ccc(cc1)C(=O)N(Cc1ccc(cc1F)C(=O)NO)CC(=O)NCc1ccccc1
InChi:	InChI=1S/C26H27FN4O4/c1-30(2)22-12-10-19(11-13-22)26(34)31(17-24(32)28-15-18-6-4-3-5-7-18)16-21-9-8-20(14-23(21)27)25(33)29-35/h3-14,35H,15-17H2,1-2H3,(H,28,32)(H,29,33)
Definition date:	2022-03-10
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	4-({N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)benzamido}methyl)-3-fluoro-N-hydroxybenzamide

M0R

M0R
Name:	19-chloro-22-methoxy-8,9,11,12,14,15-hexahydro-21H-4,6-ethenopyrimido[5,4-m][1,4,7,10,15]benzotetraoxazacycloheptadecine
Formula:	C21 H22 Cl N3 O5
SMILES:	Clc1cc2Nc3ncnc4cc(OC)c(cc43)OCCOCCOCCOc2cc1
InChi:	InChI=1S/C21H22ClN3O5/c1-26-19-12-16-15-11-20(19)30-9-7-28-5-4-27-6-8-29-18-3-2-14(22)10-17(18)25-21(15)24-13-23-16/h2-3,10-13H,4-9H2,1H3,(H,23,24,25)
Definition date:	2022-03-11
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	19-chloro-22-methoxy-8,9,11,12,14,15-hexahydro-21H-4,6-ethenopyrimido[5,4-m][1,4,7,10,15]benzotetraoxazacycloheptadecine

M19

M19
Name:	4-(5-chloro-4-fluoro-2-hydroxyanilino)-7-methoxyquinazolin-6-ol
Formula:	C15 H11 Cl F N3 O3
SMILES:	Clc1cc(Nc2ncnc3cc(OC)c(O)cc32)c(O)cc1F
InChi:	InChI=1S/C15H11ClFN3O3/c1-23-14-5-10-7(2-13(14)22)15(19-6-18-10)20-11-3-8(16)9(17)4-12(11)21/h2-6,21-22H,1H3,(H,18,19,20)
Definition date:	2022-03-11
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	4-(5-chloro-4-fluoro-2-hydroxyanilino)-7-methoxyquinazolin-6-ol

9NI

9NI
Name:	1-methyl-4-(propan-2-yl)cyclohexa-1,4-diene
Formula:	C10 H16
SMILES:	CC1=CCC(=CC1)C(C)C
InChi:	InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3
Definition date:	2021-10-20
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	1-methyl-4-(propan-2-yl)cyclohexa-1,4-diene

M1O

M1O
Name:	19-chloro-18-fluoro-22-methoxy-8,9,11,12,14,15-hexahydro-21H-4,6-ethenopyrimido[5,4-m][1,4,7,10,15]benzotetraoxazacycloheptadecine
Formula:	C21 H21 Cl F N3 O5
SMILES:	Clc1cc2Nc3ncnc4cc(OC)c(cc43)OCCOCCOCCOc2cc1F
InChi:	InChI=1S/C21H21ClFN3O5/c1-27-19-11-16-13-8-20(19)31-7-5-29-3-2-28-4-6-30-18-10-15(23)14(22)9-17(18)26-21(13)25-12-24-16/h8-12H,2-7H2,1H3,(H,24,25,26)
Definition date:	2022-03-11
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	19-chloro-18-fluoro-22-methoxy-8,9,11,12,14,15-hexahydro-21H-4,6-ethenopyrimido[5,4-m][1,4,7,10,15]benzotetraoxazacycloheptadecine

9PJ

9PJ
Name:	5-(difluoromethyl)-3-{[1-{[(3S)-5-fluoro-2-methyl-6-oxo-3,6-dihydropyridin-3-yl]methyl}-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl]oxy}-2-methylbenzonitrile
Formula:	C22 H15 F7 N4 O3
SMILES:	FC(F)C(F)(F)C=1N=CN(CC2C=C(F)C(=O)N=C2C)C(=O)C=1Oc1cc(cc(C#N)c1C)C(F)F
InChi:	InChI=1S/C22H15F7N4O3/c1-9-12(6-30)3-11(18(24)25)5-15(9)36-16-17(22(28,29)21(26)27)31-8-33(20(16)35)7-13-4-14(23)19(34)32-10(13)2/h3-5,8,13,18,21H,7H2,1-2H3/t13-/m0/s1
Definition date:	2021-10-25
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	5-(difluoromethyl)-3-{[1-{[(3S)-5-fluoro-2-methyl-6-oxo-3,6-dihydropyridin-3-yl]methyl}-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl]oxy}-2-methylbenzonitrile

9PS

9PS
Name:	4-[(~{E})-2-naphthalen-2-ylethenyl]benzene-1,2-diol
Formula:	C18 H14 O2
SMILES:	Oc1ccc(C=Cc2ccc3ccccc3c2)cc1O
InChi:	InChI=1S/C18H14O2/c19-17-10-8-14(12-18(17)20)6-5-13-7-9-15-3-1-2-4-16(15)11-13/h1-12,19-20H/b6-5+
Definition date:	2021-11-19
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	4-[(~{E})-2-naphthalen-2-ylethenyl]benzene-1,2-diol

9QI

9QI
Name:	5-(difluoromethyl)-3-({1-[(5-fluoro-2-oxo-1,2-dihydropyridin-3-yl)methyl]-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl}oxy)-2-methylbenzonitrile
Formula:	C21 H13 F7 N4 O3
SMILES:	FC(F)C(F)(F)C=1N=CN(CC2=CC(F)=CNC2=O)C(=O)C=1Oc1cc(cc(C#N)c1C)C(F)F
InChi:	InChI=1S/C21H13F7N4O3/c1-9-11(5-29)2-10(17(23)24)4-14(9)35-15-16(21(27,28)20(25)26)31-8-32(19(15)34)7-12-3-13(22)6-30-18(12)33/h2-4,6,8,17,20H,7H2,1H3,(H,30,33)
Definition date:	2021-10-25
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	5-(difluoromethyl)-3-({1-[(5-fluoro-2-oxo-1,2-dihydropyridin-3-yl)methyl]-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl}oxy)-2-methylbenzonitrile

9RJ

9RJ
Name:	4-[(~{E})-2-naphthalen-1-ylethenyl]benzene-1,2-diol
Formula:	C18 H14 O2
SMILES:	Oc1ccc(C=Cc2cccc3ccccc23)cc1O
InChi:	InChI=1S/C18H14O2/c19-17-11-9-13(12-18(17)20)8-10-15-6-3-5-14-4-1-2-7-16(14)15/h1-12,19-20H/b10-8+
Definition date:	2021-11-19
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	4-[(~{E})-2-naphthalen-1-ylethenyl]benzene-1,2-diol

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