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PDB Info pages Status search Chemie search: 2245 results BIRD

9BB

9BB
Name:	trans-4-({[(E)-1-amino-2-sulfanylethenyl]carbamoyl}oxy)cyclohexanecarboxylic acid
Formula:	C10 H16 N2 O4 S
SMILES:	O=C(OC1CCC(C(=O)O)CC1)NC(=CS)N
InChi:	InChI=1S/C10H16N2O4S/c11-8(5-17)12-10(15)16-7-3-1-6(2-4-7)9(13)14/h5-7,17H,1-4,11H2,(H,12,15)(H,13,14)/b8-5+/t6-,7-
Definition date:	2012-01-04
Last modified:	2023-11-03
Identifier:	trans-4-({[(E)-1-amino-2-sulfanylethenyl]carbamoyl}oxy)cyclohexanecarboxylic acid

02G

02G
Name:	(3S,4E)-3-hydroxy-7-sulfanylhept-4-enoic acid
Formula:	C7 H12 O3 S
SMILES:	O=C(O)CC(O)/C=C/CCS
InChi:	InChI=1S/C7H12O3S/c8-6(5-7(9)10)3-1-2-4-11/h1,3,6,8,11H,2,4-5H2,(H,9,10)/b3-1+/t6-/m1/s1
Definition date:	2011-05-04
Last modified:	2023-11-03
Identifier:	(3S,4E)-3-hydroxy-7-sulfanylhept-4-enoic acid

AUX

AUX
Name:	4-METHYL-4-[8-QUINOLINIUM-4-ENE]-4,N-METHYL-THREONINE
Formula:	C21 H29 N2 O3
SMILES:	CN[CH]([CH](O)[CH](C)CC=CCCC[n+]1cccc2ccccc12)C(O)=O
InChi:	InChI=1S/C21H28N2O3/c1-16(20(24)19(22-2)21(25)26)10-5-3-4-8-14-23-15-9-12-17-11-6-7-13-18(17)23/h3,5-7,9,11-13,15-16,19-20,22,24H,4,8,10,14H2,1-2H3/p+1/b5-3+/t16-,19+,20-/m1/s1
Definition date:	2015-05-14
Last modified:	2023-11-03
Release date:	2015-12-29
Identifier:	(E,2S,3R,4R)-4-methyl-2-(methylamino)-3-oxidanyl-10-quinolin-1-ium-1-yl-dec-6-enoic acid

F7V

F7V
Name:	(2S,4E)-2-aminohex-4-enoic acid
Formula:	C6 H11 N O2
SMILES:	NC(C(O)=O)CC=CC
InChi:	InChI=1S/C6H11NO2/c1-2-3-4-5(7)6(8)9/h2-3,5H,4,7H2,1H3,(H,8,9)/b3-2+/t5-/m0/s1
Definition date:	2018-03-09
Last modified:	2023-11-03
Release date:	2019-06-05
Identifier:	(2S,4E)-2-aminohex-4-enoic acid

FBE

FBE
Name:	(3E)-5-aminopent-3-enoic acid
Formula:	C5 H9 N O2
SMILES:	O=C(O)C/C=C/CN
InChi:	InChI=1S/C5H9NO2/c6-4-2-1-3-5(7)8/h1-2H,3-4,6H2,(H,7,8)/b2-1+
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	(3E)-5-aminopent-3-enoic acid

FF9

FF9
Name:	(2S)-2-azanyl-6-[(E)-(1-oxidanyl-1-oxidanylidene-butan-2-ylidene)amino]hexanoic acid
Formula:	C10 H18 N2 O4
SMILES:	CCC(=NCCCC[CH](N)C(O)=O)C(O)=O
InChi:	InChI=1S/C10H18N2O4/c1-2-8(10(15)16)12-6-4-3-5-7(11)9(13)14/h7H,2-6,11H2,1H3,(H,13,14)(H,15,16)/b12-8+/t7-/m0/s1
Definition date:	2020-05-08
Last modified:	2023-11-03
Release date:	2020-08-05
Identifier:	(2~{S})-2-azanyl-6-[(~{E})-(1-oxidanyl-1-oxidanylidene-butan-2-ylidene)amino]hexanoic acid

DMT

DMT
Name:	3-HYDROXY-4,4-DIMETHYL-2-(METHYLAMINO)-6-OCTENOIC ACID
Formula:	C11 H21 N O3
SMILES:	O=C(O)C(NC)C(O)C(C/C=C/C)(C)C
InChi:	InChI=1S/C11H21NO3/c1-5-6-7-11(2,3)9(13)8(12-4)10(14)15/h5-6,8-9,12-13H,7H2,1-4H3,(H,14,15)/b6-5+/t8-,9-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	4-[(2E)-but-2-en-1-yl]-2,4,5-trideoxy-4-methyl-2-(methylamino)-D-arabinonic acid

FHL

FHL
Name:	(E)-N~6~-[3-CARBOXY-1-(HYDROXYMETHYL)PROPYLIDENE]-L-LYSINE
Formula:	C11 H20 N2 O5
SMILES:	O=C(O)C(N)CCCC/N=C(/CO)CCC(=O)O
InChi:	InChI=1S/C11H20N2O5/c12-9(11(17)18)3-1-2-6-13-8(7-14)4-5-10(15)16/h9,14H,1-7,12H2,(H,15,16)(H,17,18)/b13-8+/t9-/m0/s1
Synonyms:	2-AMINO-6-(3-CARBOXY-1-HYDROXYMETHYL-PROPYLIDENEAMINO)-HEXANOIC ACID
Definition date:	2005-09-11
Last modified:	2023-11-03
Identifier:	(E)-N~6~-[3-carboxy-1-(hydroxymethyl)propylidene]-L-lysine

FUM

FUM
Name:	FUMARIC ACID
Formula:	C4 H4 O4
SMILES:	O=C(O)C=CC(=O)O
InChi:	InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	(2E)-but-2-enedioic acid

28K

28K
Name:	(2E)-3-{(2S)-2-[(1R)-1-hydroxyethyl]oxiran-2-yl}prop-2-enoic acid
Formula:	C7 H10 O4
SMILES:	O=C(O)C=CC1(OC1)C(O)C
InChi:	InChI=1S/C7H10O4/c1-5(8)7(4-11-7)3-2-6(9)10/h2-3,5,8H,4H2,1H3,(H,9,10)/b3-2+/t5?,7-/m0/s1
Definition date:	2013-09-10
Last modified:	2023-11-03
Release date:	2014-05-21
Identifier:	(2E)-3-{(2S)-2-[(1R)-1-hydroxyethyl]oxiran-2-yl}prop-2-enoic acid

I2F

I2F
Name:	(2~{S},4~{R},5~{E})-5-[(5~{S})-5-azanyl-6-oxidanyl-hexyl]iminohexane-1,2,4-triol
Formula:	C12 H26 N2 O5
SMILES:	CC(=NCCCC[CH](N)C(O)O)[CH](O)C[CH](O)CO
InChi:	InChI=1S/C12H26N2O5/c1-8(11(17)6-9(16)7-15)14-5-3-2-4-10(13)12(18)19/h9-12,15-19H,2-7,13H2,1H3/b14-8+/t9-,10-,11+/m0/s1
Definition date:	2022-02-08
Last modified:	2023-11-03
Release date:	2023-02-08
Identifier:	(2~{S},4~{R},5~{E})-5-[(5~{S})-5-azanyl-6,6-bis(oxidanyl)hexyl]iminohexane-1,2,4-triol

IEY

IEY
Name:	{5-hydroxy-4-(4-hydroxybenzyl)-2-[(E)-2-(1H-imidazol-4-yl)ethenyl]-1H-imidazol-1-yl}acetic acid
Formula:	C17 H16 N4 O4
SMILES:	O=C(O)Cn2c(O)c(nc2C=Cc1ncnc1)Cc3ccc(O)cc3
InChi:	InChI=1S/C17H16N4O4/c22-13-4-1-11(2-5-13)7-14-17(25)21(9-16(23)24)15(20-14)6-3-12-8-18-10-19-12/h1-6,8,10,14,22H,7,9H2,(H,18,19)(H,23,24)/b6-3+/t14-/m0/s1
Synonyms:	CHROMOPHORE (HIS-TYR-GLY)
Definition date:	2005-06-01
Last modified:	2023-11-03
Identifier:	{5-hydroxy-4-(4-hydroxybenzyl)-2-[(E)-2-(1H-imidazol-4-yl)ethenyl]-1H-imidazol-1-yl}acetic acid

UGU

UGU
Name:	(Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid
Formula:	C20 H34 O5
SMILES:	CCCCC[CH](O)C=C[CH]1[CH](O)C[CH](O)[CH]1CC=CCCCC(O)=O
InChi:	InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
Synonyms:	Dinoprost
Definition date:	2023-05-30
Last modified:	2023-11-01
Release date:	2023-07-12
Identifier:	(~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-3,5-bis(oxidanyl)-2-[(~{E},3~{S})-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid

L1N

L1N
Name:	4-[(~{E})-(7-oxidanyl-6~{H}-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]-~{N}-pyridin-2-yl-benzenesulfonamide
Formula:	C21 H15 N5 O3 S2
SMILES:	Oc1[nH]c2ccc3ncsc3c2c1C=Nc4ccc(cc4)[S](=O)(=O)Nc5ccccn5
InChi:	InChI=1S/C21H15N5O3S2/c27-21-15(19-16(25-21)8-9-17-20(19)30-12-24-17)11-23-13-4-6-14(7-5-13)31(28,29)26-18-3-1-2-10-22-18/h1-12,25,27H,(H,22,26)/b23-11+
Definition date:	2022-11-06
Last modified:	2023-10-27
Release date:	2023-11-01
Identifier:	4-[(~{E})-(7-oxidanyl-6~{H}-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]-~{N}-pyridin-2-yl-benzenesulfonamide

QDL

QDL
Name:	Antheraxanthin
Formula:	C40 H56 O3
SMILES:	CC1=C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C[C]23O[C]2(C)C[CH](O)CC3(C)C)C(C)(C)C[CH](O)C1
InChi:	InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1
Synonyms:	(1~{R},3~{S},6~{S})-1,5,5-trimethyl-6-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptan-3-ol
Definition date:	2022-10-25
Last modified:	2023-10-27
Release date:	2023-11-01
Identifier:	(1~{R},3~{S},6~{S})-1,5,5-trimethyl-6-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptan-3-ol

MFF

MFF
Name:	methyl (3~{S},5~{R},6~{E},8~{Z},10~{R},12~{E},14~{E},16~{S})-3,16-bis(azanyl)-8,10,12-trimethyl-16-[(2~{S},4~{R},5~{S},6~{S})-5-methyl-4-oxidanyl-6-[(~{E})-prop-1-enyl]oxan-2-yl]-5-oxidanyl-hexadeca-6,8,12,14-tetraenoate
Formula:	C29 H48 N2 O5
SMILES:	COC(=O)C[CH](N)C[CH](O)C=CC(C)=C[CH](C)CC(C)=CC=C[CH](N)[CH]1C[CH](O)[CH](C)[CH](O1)C=CC
InChi:	InChI=1S/C29H48N2O5/c1-7-9-27-22(5)26(33)18-28(36-27)25(31)11-8-10-19(2)14-21(4)15-20(3)12-13-24(32)16-23(30)17-29(34)35-6/h7-13,15,21-28,32-33H,14,16-18,30-31H2,1-6H3/b9-7+,11-8+,13-12+,19-10+,20-15-/t21-,22+,23+,24+,25+,26-,27+,28+/m1/s1
Definition date:	2022-12-23
Last modified:	2023-10-20
Release date:	2023-10-25
Identifier:	methyl (3~{S},5~{R},6~{E},8~{Z},10~{R},12~{E},14~{E},16~{S})-3,16-bis(azanyl)-8,10,12-trimethyl-16-[(2~{S},4~{R},5~{S},6~{S})-5-methyl-4-oxidanyl-6-[(~{E})-prop-1-enyl]oxan-2-yl]-5-oxidanyl-hexadeca-6,8,12,14-tetraenoate

MI8

MI8
Name:	methyl (3~{S},5~{R},6~{E},8~{Z},10~{R},12~{E},14~{E},16~{R})-3,16-bis(azanyl)-8,10,12-trimethyl-16-[(2~{S},4~{R},5~{S},6~{S})-5-methyl-4-oxidanyl-6-[(~{E})-prop-1-enyl]oxan-2-yl]-5-oxidanyl-hexadeca-6,8,12,14-tetraenoate
Formula:	C29 H48 N2 O5
SMILES:	COC(=O)C[CH](N)C[CH](O)C=CC(C)=C[CH](C)CC(C)=CC=C[CH](N)[CH]1C[CH](O)[CH](C)[CH](O1)C=CC
InChi:	InChI=1S/C29H48N2O5/c1-7-9-27-22(5)26(33)18-28(36-27)25(31)11-8-10-19(2)14-21(4)15-20(3)12-13-24(32)16-23(30)17-29(34)35-6/h7-13,15,21-28,32-33H,14,16-18,30-31H2,1-6H3/b9-7+,11-8+,13-12+,19-10+,20-15-/t21-,22+,23+,24+,25-,26-,27+,28+/m1/s1
Definition date:	2022-12-23
Last modified:	2023-10-20
Release date:	2023-10-25
Identifier:	methyl (3~{S},5~{R},6~{E},8~{Z},10~{R},12~{E},14~{E},16~{R})-3,16-bis(azanyl)-8,10,12-trimethyl-16-[(2~{S},4~{R},5~{S},6~{S})-5-methyl-4-oxidanyl-6-[(~{E})-prop-1-enyl]oxan-2-yl]-5-oxidanyl-hexadeca-6,8,12,14-tetraenoate

ET4

ET4
Name:	(1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]cyclohex-3-en-1-ol
Formula:	C40 H54 O2
SMILES:	CC(=CC=CC=C(C)C=CC=C(C)C#CC1=C(C)C[CH](O)CC1(C)C)C=CC=C(C)C=CC2=C(C)C[CH](O)CC2(C)C
InChi:	InChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-21,23,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1
Synonyms:	Diatoxanthin
Definition date:	2023-06-15
Last modified:	2023-10-20
Release date:	2023-10-25
Identifier:	(1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]cyclohex-3-en-1-ol

XRB

XRB
Name:	5-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}pyrimidin-2-yl)amino]-2-[4-(methanesulfonyl)piperazin-1-yl]benzonitrile
Formula:	C27 H27 N7 O3 S
SMILES:	O=S(C)(=O)N1CCN(CC1)c1ccc(Nc2nc(Oc3c(C)cc(C=CC#N)cc3C)ccn2)cc1C#N
InChi:	InChI=1S/C27H27N7O3S/c1-19-15-21(5-4-9-28)16-20(2)26(19)37-25-8-10-30-27(32-25)31-23-6-7-24(22(17-23)18-29)33-11-13-34(14-12-33)38(3,35)36/h4-8,10,15-17H,11-14H2,1-3H3,(H,30,31,32)/b5-4+
Definition date:	2022-12-06
Last modified:	2023-10-13
Release date:	2023-10-18
Identifier:	5-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}pyrimidin-2-yl)amino]-2-[4-(methanesulfonyl)piperazin-1-yl]benzonitrile

XDU

XDU
Name:	4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-ol
Formula:	C13 H7 Cl2 F3 N2 O
SMILES:	Oc1nc(/C=C/c2ccc(Cl)cc2Cl)cc(n1)C(F)(F)F
InChi:	InChI=1S/C13H7Cl2F3N2O/c14-8-3-1-7(10(15)5-8)2-4-9-6-11(13(16,17)18)20-12(21)19-9/h1-6H,(H,19,20,21)/b4-2+
Definition date:	2022-11-14
Last modified:	2023-10-13
Release date:	2023-10-18
Identifier:	4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-ol

WS9

WS9
Name:	N-[(1E,3R)-5-amino-1-(1,3-oxazol-2-yl)-5-oxopent-1-en-3-yl]-1-{1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carbonyl}-L-prolinamide
Formula:	C24 H25 F3 N4 O5
SMILES:	FC(F)(F)Oc1ccc(cc1)C1(CC1)C(=O)N1CCCC1C(=O)NC(/C=C/c1ncco1)CC(N)=O
InChi:	InChI=1S/C24H25F3N4O5/c25-24(26,27)36-17-6-3-15(4-7-17)23(9-10-23)22(34)31-12-1-2-18(31)21(33)30-16(14-19(28)32)5-8-20-29-11-13-35-20/h3-8,11,13,16,18H,1-2,9-10,12,14H2,(H2,28,32)(H,30,33)
Definition date:	2022-10-17
Last modified:	2023-10-06
Release date:	2023-10-11
Identifier:	N-[(1E,3R)-5-amino-1-(1,3-oxazol-2-yl)-5-oxopent-1-en-3-yl]-1-{1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carbonyl}-L-prolinamide

9TN

9TN
Name:	DEBUTANOYL THAPSIGARGIN
Formula:	C30 H44 O11
SMILES:	CCCCCCCC(=O)O[CH]1[CH](OC(=O)C(C)=CC)C(=C2[CH]3OC(=O)[C](C)(O)[C]3(O)[CH](O)C[C](C)(OC(C)=O)[CH]12)C
InChi:	InChI=1S/C30H44O11/c1-8-10-11-12-13-14-20(33)38-24-22-21(17(4)23(24)39-26(34)16(3)9-2)25-30(37,29(7,36)27(35)40-25)19(32)15-28(22,6)41-18(5)31/h9,19,22-25,32,36-37H,8,10-15H2,1-7H3/b16-9+/t19-,22+,23-,24-,25-,28-,29+,30+/m0/s1
Definition date:	2011-04-11
Last modified:	2023-09-23
Identifier:	[(3~{S},3~{a}~{R},4~{S},6~{S},6~{a}~{R},7~{S},8~{S},9~{b}~{S})-6-acetyloxy-3,6,9-trimethyl-8-[(~{E})-2-methylbut-2-enoyl]oxy-3,3~{a},4-tris(oxidanyl)-2-oxidanylidene-4,5,6~{a},7,8,9~{b}-hexahydroazuleno[4,5-b]furan-7-yl] octanoate

N0C

N0C
Name:	~{N}-[(~{E})-[2-phenyl-6-[[2-[2-(trimethyl-$l^{4}-azanyl)ethanoyl]hydrazinyl]methyl]pyrimidin-4-yl]methylideneamino]-2-(trimethyl-$l^{4}-azanyl)ethanamide
Formula:	C22 H34 N8 O2
SMILES:	C[N+](C)(C)CC(=O)NNCc1cc(C=NNC(=O)C[N+](C)(C)C)nc(n1)c2ccccc2
InChi:	InChI=1S/C22H32N8O2/c1-29(2,3)15-20(31)27-23-13-18-12-19(14-24-28-21(32)16-30(4,5)6)26-22(25-18)17-10-8-7-9-11-17/h7-13H,14-16H2,1-6H3,(H-2,23,24,25,26,27,28,31,32)/p+2
Definition date:	2022-08-09
Last modified:	2023-09-23
Release date:	2023-06-14
Identifier:	trimethyl-[2-oxidanylidene-2-[2-[[2-phenyl-6-[(~{E})-[2-(trimethylazaniumyl)ethanoylhydrazinylidene]methyl]pyrimidin-4-yl]methyl]hydrazinyl]ethyl]azanium

N39

N39
Name:	O1-tert-butyl O2-ethyl O5-methyl (E,5R)-5-(1-methylindol-2-yl)-5-[(4-methylphenyl)sulfonylamino]pent-2-ene-1,2,5-tricarboxylate
Formula:	C31 H36 N2 O8 S
SMILES:	CCOC(=O)C1=CC[C](N([CH]1C(=O)OC(C)(C)C)[S](=O)(=O)c2ccc(C)cc2)(C(=O)OC)c3cc4ccccc4n3C
InChi:	InChI=1S/C31H36N2O8S/c1-8-40-27(34)23-17-18-31(29(36)39-7,25-19-21-11-9-10-12-24(21)32(25)6)33(26(23)28(35)41-30(3,4)5)42(37,38)22-15-13-20(2)14-16-22/h9-17,19,26H,8,18H2,1-7H3/t26-,31+/m0/s1
Synonyms:	3-formyl rifamycin SV
Definition date:	2022-08-11
Last modified:	2023-09-23
Release date:	2022-08-24
Identifier:	~{O}2-~{tert}-butyl ~{O}3-ethyl ~{O}6-methyl (2~{S},6~{R})-6-(1-methylindol-2-yl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyridine-2,3,6-tricarboxylate

14Y

14Y
Name:	METHYL(E)-OCTADEC-9-ENOATE
Formula:	C19 H36 O2
SMILES:	CCCCCCCCC=CCCCCCCCC(=O)OC
InChi:	InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10+
Definition date:	2011-05-31
Last modified:	2023-09-23
Identifier:	methyl (~{E})-octadec-9-enoate

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