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NW6

NW6
Name:	nocodazole
Formula:	C14 H11 N3 O3 S
SMILES:	COC(=O)Nc1[nH]c2ccc(cc2n1)C(=O)c3sccc3
InChi:	InChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19)
Definition date:	2022-08-24
Last modified:	2022-08-26
Release date:	2022-08-31
Identifier:	methyl ~{N}-(5-thiophen-2-ylcarbonyl-1~{H}-benzimidazol-2-yl)carbamate

1IV

1IV
Name:	[(2~{R},4~{S})-4-[2-(aminomethyl)imidazol-1-yl]-2-[1-[(4-chlorophenyl)methyl]-5-methyl-indol-2-yl]pyrrolidin-1-yl]-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)methanone
Formula:	C32 H30 Cl N7 O
SMILES:	Cc1ccc2n(Cc3ccc(Cl)cc3)c(cc2c1)[CH]4C[CH](CN4C(=O)c5cnc6[nH]ccc6c5)n7ccnc7CN
InChi:	InChI=1S/C32H30ClN7O/c1-20-2-7-27-23(12-20)14-28(39(27)18-21-3-5-25(33)6-4-21)29-15-26(38-11-10-35-30(38)16-34)19-40(29)32(41)24-13-22-8-9-36-31(22)37-17-24/h2-14,17,26,29H,15-16,18-19,34H2,1H3,(H,36,37)/t26-,29+/m0/s1
Definition date:	2022-01-24
Last modified:	2022-08-26
Release date:	2022-08-31
Identifier:	[(2~{R},4~{S})-4-[2-(aminomethyl)imidazol-1-yl]-2-[1-[(4-chlorophenyl)methyl]-5-methyl-indol-2-yl]pyrrolidin-1-yl]-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)methanone

LJX

LJX
Name:	(2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol
Formula:	C19 H21 N5 O3 S
SMILES:	OC1C(O)COC1n1c2nc(C#CCCCC)nc(N)c2nc1c1cccs1
InChi:	InChI=1S/C19H21N5O3S/c1-2-3-4-5-8-13-21-16(20)14-18(22-13)24(19-15(26)11(25)10-27-19)17(23-14)12-7-6-9-28-12/h6-7,9,11,15,19,25-26H,2-4,10H2,1H3,(H2,20,21,22)/t11-,15-,19-/m1/s1
Definition date:	2022-05-17
Last modified:	2022-08-26
Release date:	2022-08-31
Identifier:	(2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol

OWR

OWR
Name:	1-[2-deoxy-5-O-(dihydroxyphosphanyl)-beta-D-erythro-pentofuranosyl]-1H-naphtho[2,3-d]imidazole
Formula:	C16 H17 N2 O6 P
SMILES:	O=P(O)(O)OCC1OC(CC1O)n1cnc2cc3ccccc3cc21
InChi:	InChI=1S/C16H17N2O6P/c19-14-7-16(24-15(14)8-23-25(20,21)22)18-9-17-12-5-10-3-1-2-4-11(10)6-13(12)18/h1-6,9,14-16,19H,7-8H2,(H2,20,21,22)/t14-,15+,16+/m0/s1
Definition date:	2022-05-18
Last modified:	2022-08-26
Release date:	2022-08-31
Identifier:	1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-naphtho[2,3-d]imidazole

TSW

TSW
Name:	2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-~{N}-(1,3-thiazol-2-yl)ethanamide
Formula:	C19 H16 N6 O2 S2
SMILES:	O=C(CSC1=Nc2nccnc2C(=O)N1CCc3ccccc3)Nc4sccn4
InChi:	InChI=1S/C19H16N6O2S2/c26-14(23-18-22-9-11-28-18)12-29-19-24-16-15(20-7-8-21-16)17(27)25(19)10-6-13-4-2-1-3-5-13/h1-5,7-9,11H,6,10,12H2,(H,22,23,26)
Definition date:	2021-01-13
Last modified:	2022-08-26
Release date:	2022-08-31
Identifier:	2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-~{N}-(1,3-thiazol-2-yl)ethanamide

1T0

1T0
Name:	4-[(3R)-3-cyano-3-(1-methylcyclopropyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide
Formula:	C27 H27 F N6 O2
SMILES:	Cn1cc(cn1)c2cc(F)cc(CNC(=O)c3cc(cc(C)n3)N4CC[C](C#N)(C4=O)C5(C)CC5)c2
InChi:	InChI=1S/C27H27FN6O2/c1-17-8-22(34-7-6-27(16-29,25(34)36)26(2)4-5-26)12-23(32-17)24(35)30-13-18-9-19(11-21(28)10-18)20-14-31-33(3)15-20/h8-12,14-15H,4-7,13H2,1-3H3,(H,30,35)/t27-/m1/s1
Definition date:	2021-07-08
Last modified:	2022-08-26
Release date:	2022-08-31
Identifier:	4-[(3~{R})-3-cyano-3-(1-methylcyclopropyl)-2-oxidanylidene-pyrrolidin-1-yl]-~{N}-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide

80E

80E
Name:	2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(methoxycarbonyl)benzoic acid
Formula:	C19 H18 N2 O4
SMILES:	O=C(OC)c1ccc(NCCc2c[NH]c3ccccc32)c(c1)C(=O)O
InChi:	InChI=1S/C19H18N2O4/c1-25-19(24)12-6-7-17(15(10-12)18(22)23)20-9-8-13-11-21-16-5-3-2-4-14(13)16/h2-7,10-11,20-21H,8-9H2,1H3,(H,22,23)
Definition date:	2021-08-24
Last modified:	2022-08-26
Release date:	2022-08-31
Identifier:	2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(methoxycarbonyl)benzoic acid

7IS

7IS
Name:	N-[4-[(6-chloranylpyridazin-3-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
Formula:	C18 H12 Cl F3 N4 O
SMILES:	FC(F)(F)c1cccc(c1)C(=O)Nc2ccc(Nc3ccc(Cl)nn3)cc2
InChi:	InChI=1S/C18H12ClF3N4O/c19-15-8-9-16(26-25-15)23-13-4-6-14(7-5-13)24-17(27)11-2-1-3-12(10-11)18(20,21)22/h1-10H,(H,23,26)(H,24,27)
Definition date:	2021-10-06
Last modified:	2022-08-26
Release date:	2022-08-31
Identifier:	~{N}-[4-[(6-chloranylpyridazin-3-yl)amino]phenyl]-3-(trifluoromethyl)benzamide

EM0

EM0
Name:	4-fluoro-3-methyl-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-1-sulfonamide
Formula:	C16 H16 F N3 O3 S
SMILES:	Cc1cc(ccc1F)S(=O)(=O)Nc1ccc2NC(=O)N(C)Cc2c1
InChi:	InChI=1S/C16H16FN3O3S/c1-10-7-13(4-5-14(10)17)24(22,23)19-12-3-6-15-11(8-12)9-20(2)16(21)18-15/h3-8,19H,9H2,1-2H3,(H,18,21)
Definition date:	2021-12-08
Last modified:	2022-08-26
Release date:	2022-08-31
Identifier:	4-fluoro-3-methyl-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-1-sulfonamide

ERL

ERL
Name:	(1S,2S)-2-azanyl-1-oxidanyl-hexane-1-sulfonic acid
Formula:	C6 H15 N O4 S
SMILES:	CCCC[CH](N)[CH](O)[S](O)(=O)=O
InChi:	InChI=1S/C6H15NO4S/c1-2-3-4-5(7)6(8)12(9,10)11/h5-6,8H,2-4,7H2,1H3,(H,9,10,11)/t5-,6-/m0/s1
Synonyms:	(2R)-2-acetamido-3-sulfanyl-propanoic acid
Definition date:	2022-01-12
Last modified:	2022-08-26
Release date:	2022-08-31
Identifier:	(1~{R},2~{S})-2-azanyl-1-oxidanyl-hexane-1-sulfonic acid

G5F

G5F
Name:	[(2~{S},3~{S},4~{R})-4-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-[[(2~{S},3~{R})-2,3-bis(oxidanyl)butoxy]-oxidanyl-phosphoryl]oxy-2,3-bis(oxidanyl)pentyl] [(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate
Formula:	C23 H47 N O24 P2
SMILES:	CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH](CO[P](O)(=O)OC[CH](O)[CH](O)C(O)CO)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO
InChi:	InChI=1S/C23H47NO24P2/c1-9(28)24-17-22(38)21(37)15(4-27)47-23(17)48-16(8-46-50(41,42)44-6-13(32)19(35)11(30)3-26)20(36)14(33)7-45-49(39,40)43-5-12(31)18(34)10(29)2-25/h10-23,25-27,29-38H,2-8H2,1H3,(H,24,28)(H,39,40)(H,41,42)/t10-,11?,12+,13-,14-,15+,16+,17+,18-,19+,20-,21+,22+,23-/m0/s1
Definition date:	2022-01-27
Last modified:	2022-08-26
Release date:	2022-08-31
Identifier:	[(2~{R},3~{S},4~{S})-2-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)-5-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentoxy]phosphoryl]oxy-pentyl] [(2~{S},3~{R},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate

G6N

G6N
Name:	[(2~{S},3~{S},4~{R})-4-[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2,3-bis(oxidanyl)-5-[oxidanyl-[(2~{R})-2-oxidanylpropoxy]phosphoryl]oxy-pentyl] [(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate
Formula:	C23 H47 N O24 P2
SMILES:	CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH](CO[P](O)(=O)OC[CH](O)C(O)C(O)CO)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO
InChi:	InChI=1S/C23H47NO24P2/c1-9(28)24-17-22(38)21(37)15(4-27)47-23(17)48-16(8-46-50(41,42)44-6-13(32)19(35)11(30)3-26)20(36)14(33)7-45-49(39,40)43-5-12(31)18(34)10(29)2-25/h10-23,25-27,29-38H,2-8H2,1H3,(H,24,28)(H,39,40)(H,41,42)/t10-,11?,12+,13-,14-,15+,16+,17+,18-,19?,20-,21+,22+,23+/m0/s1
Definition date:	2022-01-27
Last modified:	2022-08-26
Release date:	2022-08-31
Identifier:	[(2~{R},3~{S},4~{S})-2-[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)-5-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentoxy]phosphoryl]oxy-pentyl] [(2~{S},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate

G7C

G7C
Name:	[(2~{S},4~{R})-3-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2,4-bis(oxidanyl)-5-[oxidanyl-[(2~{S})-2,3,4,5-tetrakis(oxidanyl)pentoxy]phosphoryl]oxy-pentyl] [(2~{R},3~{S})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate
Formula:	C23 H47 N O24 P2
SMILES:	CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH]([CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)C(O)CO)[CH](O)CO[P](O)(=O)OC[CH](O)C(O)C(O)CO
InChi:	InChI=1S/C23H47NO24P2/c1-9(28)24-17-21(38)20(37)16(4-27)47-23(17)48-22(14(33)7-45-49(39,40)43-5-12(31)18(35)10(29)2-25)15(34)8-46-50(41,42)44-6-13(32)19(36)11(30)3-26/h10-23,25-27,29-38H,2-8H2,1H3,(H,24,28)(H,39,40)(H,41,42)/t10?,11?,12-,13+,14+,15-,16-,17-,18+,19?,20-,21-,22+,23+/m1/s1
Definition date:	2022-01-27
Last modified:	2022-08-26
Release date:	2022-08-31
Identifier:	[(2~{S},4~{R})-3-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2,4-bis(oxidanyl)-5-[oxidanyl-[(2~{S},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentoxy]phosphoryl]oxy-pentyl] [(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate

EIZ

EIZ
Name:	tert-butyl N-[3-(2-hydroxyethylcarbamoyl)-5-phenyl-thiophen-2-yl]carbamate
Formula:	C18 H22 N2 O4 S
SMILES:	CC(C)(C)OC(=O)Nc1sc(cc1C(=O)NCCO)c2ccccc2
InChi:	InChI=1S/C18H22N2O4S/c1-18(2,3)24-17(23)20-16-13(15(22)19-9-10-21)11-14(25-16)12-7-5-4-6-8-12/h4-8,11,21H,9-10H2,1-3H3,(H,19,22)(H,20,23)
Synonyms:	(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-1-oxidanyl-hexane-1-sulfonic acid
Definition date:	2022-01-10
Last modified:	2022-08-26
Release date:	2022-08-31
Identifier:	~{tert}-butyl ~{N}-[3-(2-hydroxyethylcarbamoyl)-5-phenyl-thiophen-2-yl]carbamate

IAZ

IAZ
Name:	~{N}-(furan-2-ylmethyl)-6-phenoxy-1~{H}-benzimidazol-2-amine
Formula:	C18 H15 N3 O2
SMILES:	C(Nc1[nH]c2cc(Oc3ccccc3)ccc2n1)c4occc4
InChi:	InChI=1S/C18H15N3O2/c1-2-5-13(6-3-1)23-14-8-9-16-17(11-14)21-18(20-16)19-12-15-7-4-10-22-15/h1-11H,12H2,(H2,19,20,21)
Definition date:	2022-03-04
Last modified:	2022-08-26
Release date:	2022-08-31
Identifier:	~{N}-(furan-2-ylmethyl)-6-phenoxy-1~{H}-benzimidazol-2-amine

IG3

IG3
Name:	~{N}-[4-[3-(methylsulfonylamino)phenyl]-1,3-thiazol-2-yl]-2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-ethanamide
Formula:	C26 H23 N7 O4 S3
SMILES:	C[S](=O)(=O)Nc1cccc(c1)c2csc(NC(=O)CSC3=Nc4nccnc4C(=O)N3CCc5ccccc5)n2
InChi:	InChI=1S/C26H23N7O4S3/c1-40(36,37)32-19-9-5-8-18(14-19)20-15-38-25(29-20)30-21(34)16-39-26-31-23-22(27-11-12-28-23)24(35)33(26)13-10-17-6-3-2-4-7-17/h2-9,11-12,14-15,32H,10,13,16H2,1H3,(H,29,30,34)
Definition date:	2022-03-18
Last modified:	2022-08-26
Release date:	2022-08-31
Identifier:	~{N}-[4-[3-(methylsulfonylamino)phenyl]-1,3-thiazol-2-yl]-2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-ethanamide

IKC

IKC
Name:	~{N}-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-ethanamide
Formula:	C25 H20 N6 O3 S2
SMILES:	Oc1cccc(c1)c2csc(NC(=O)CSC3=Nc4nccnc4C(=O)N3CCc5ccccc5)n2
InChi:	InChI=1S/C25H20N6O3S2/c32-18-8-4-7-17(13-18)19-14-35-24(28-19)29-20(33)15-36-25-30-22-21(26-10-11-27-22)23(34)31(25)12-9-16-5-2-1-3-6-16/h1-8,10-11,13-14,32H,9,12,15H2,(H,28,29,33)
Definition date:	2022-03-28
Last modified:	2022-08-26
Release date:	2022-08-31
Identifier:	~{N}-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-ethanamide

IYY

IYY
Name:	L-cystine
Formula:	C6 H12 N2 O4 S2
SMILES:	N[CH](CSSC[CH](N)C(O)=O)C(O)=O
InChi:	InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1
Synonyms:	(2R)-2-azanyl-3-[[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]disulfanyl]propanoic acid
Definition date:	2022-04-20
Last modified:	2022-08-26
Release date:	2022-08-31
Identifier:	(2~{R})-2-azanyl-3-[[(2~{R})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]disulfanyl]propanoic acid

7TE

7TE
Name:	(S)-({[(3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}methyl)phosphinic acid
Formula:	C10 H14 N5 O6 P
SMILES:	O=P(O)(O)COC1COC(n2cnc3c(N)ncnc32)C1O
InChi:	InChI=1S/C10H14N5O6P/c11-8-6-9(13-2-12-8)15(3-14-6)10-7(16)5(1-20-10)21-4-22(17,18)19/h2-3,5,7,10,16H,1,4H2,(H2,11,12,13)(H2,17,18,19)/t5-,7+,10+/m0/s1
Definition date:	2021-08-19
Last modified:	2022-08-24
Release date:	2022-08-24
Identifier:	({[(3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}methyl)phosphonic acid

KFR

KFR
Name:	methyl (2S)-2-[[(2S)-2-[[(2S,3R)-3-azanyl-2-oxidanyl-4-(4-oxidanylphenoxy)butanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoate
Formula:	C28 H36 N4 O7
SMILES:	COC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)[CH](CC(C)C)NC(=O)[CH](O)[CH](N)COc3ccc(O)cc3
InChi:	InChI=1S/C28H36N4O7/c1-16(2)12-23(31-27(36)25(34)21(29)15-39-19-10-8-18(33)9-11-19)26(35)32-24(28(37)38-3)13-17-14-30-22-7-5-4-6-20(17)22/h4-11,14,16,21,23-25,30,33-34H,12-13,15,29H2,1-3H3,(H,31,36)(H,32,35)/t21-,23+,24+,25+/m1/s1
Synonyms:	(2S-3R)-3-Amino-2-Hydroxybutyryl derivative
Definition date:	2022-05-25
Last modified:	2022-08-22
Release date:	2022-07-20
Identifier:	methyl (2~{S})-2-[[(2~{S})-2-[[(2~{S},3~{R})-3-azanyl-2-oxidanyl-4-(4-oxidanylphenoxy)butanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1~{H}-indol-3-yl)propanoate

T56

T56
Name:	(E)-3-dibenzofuran-4-yl-N-oxidanyl-prop-2-enamide
Formula:	C15 H11 N O3
SMILES:	ONC(=O)C=Cc1cccc2c1oc3ccccc23
InChi:	InChI=1S/C15H11NO3/c17-14(16-18)9-8-10-4-3-6-12-11-5-1-2-7-13(11)19-15(10)12/h1-9,18H,(H,16,17)/b9-8+
Definition date:	2021-10-26
Last modified:	2022-08-22
Release date:	2021-12-15
Identifier:	(~{E})-3-dibenzofuran-4-yl-~{N}-oxidanyl-prop-2-enamide

L1J

L1J
Name:	2-azanyl-9-[(2~{R},4~{S},5~{R})-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-1~{H}-purin-6-one
Formula:	C10 H13 N5 O4
SMILES:	NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO)O3
InChi:	InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1
Definition date:	2022-06-09
Last modified:	2022-08-22
Release date:	2022-06-15
Identifier:	2-azanyl-9-[(2~{R},4~{S},5~{R})-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-1~{H}-purin-6-one

KMC

KMC
Name:	galangin
Formula:	C15 H10 O5
SMILES:	Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccccc3)O
InChi:	InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H
Synonyms:	3,5,7-tris(oxidanyl)-2-phenyl-chromen-4-one
Definition date:	2022-05-31
Last modified:	2022-08-22
Release date:	2022-07-20
Identifier:	3,5,7-tris(oxidanyl)-2-phenyl-chromen-4-one

KML

KML
Name:	pinocembrin
Formula:	C15 H12 O4
SMILES:	Oc1cc(O)c2C(=O)C[CH](Oc2c1)c3ccccc3
InChi:	InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1
Synonyms:	(2~{S})-5,7-bis(oxidanyl)-2-phenyl-2,3-dihydrochromen-4-one
Definition date:	2022-05-31
Last modified:	2022-08-22
Release date:	2022-07-20
Identifier:	(2~{S})-5,7-bis(oxidanyl)-2-phenyl-2,3-dihydrochromen-4-one

KMU

KMU
Name:	2-[(2~{S})-2-(aminomethyl)-5-chloranyl-2-phenyl-3~{H}-1-benzofuran-4-yl]benzamide
Formula:	C22 H19 Cl N2 O2
SMILES:	NC[C]1(Cc2c(O1)ccc(Cl)c2c3ccccc3C(N)=O)c4ccccc4
InChi:	InChI=1S/C22H19ClN2O2/c23-18-10-11-19-17(20(18)15-8-4-5-9-16(15)21(25)26)12-22(13-24,27-19)14-6-2-1-3-7-14/h1-11H,12-13,24H2,(H2,25,26)/t22-/m1/s1
Definition date:	2022-05-31
Last modified:	2022-08-22
Release date:	2022-08-17
Identifier:	2-[(2~{S})-2-(aminomethyl)-5-chloranyl-2-phenyl-3~{H}-1-benzofuran-4-yl]benzamide

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