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A1H1Z
A1H1Z
Name:[1-[2-[2-[2-[2-[2-(dipyridin-2-ylamino)ethanoylamino]ethoxy]ethoxy]ethoxy]ethyl]-1,2,3-triazol-4-yl]methyl ~{N}-[5-[[4-[5-[[4-[5-[ethanoyl(oxidanyl)amino]pentylamino]-4-oxidanylidene-butanoyl]-oxidanyl-amino]pentylamino]-4-oxidanylidene-butanoyl]-oxidanyl-amino]pentyl]carbamate
Formula:C49 H77 N13 O14
SMILES:CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)OCc1cn(CCOCCOCCOCCNC(=O)CN(c2ccccn2)c3ccccn3)nn1
InChi:InChI=1S/C49H77N13O14/c1-40(63)60(70)27-12-2-7-23-52-44(64)17-19-47(67)61(71)28-13-3-8-24-53-45(65)18-20-48(68)62(72)29-14-4-9-25-55-49(69)76-39-41-37-58(57-56-41)30-32-74-34-36-75-35-33-73-31-26-54-46(66)38-59(42-15-5-10-21-50-42)43-16-6-11-22-51-43/h5-6,10-11,15-16,21-22,37,70-72H,2-4,7-9,12-14,17-20,23-36,38-39H2,1H3,(H,52,64)(H,53,65)(H,54,66)(H,55,69)
Definition date:2024-01-09
Last modified:2024-11-15
Release date:2024-11-20
Identifier:[1-[2-[2-[2-[2-[2-(dipyridin-2-ylamino)ethanoylamino]ethoxy]ethoxy]ethoxy]ethyl]-1,2,3-triazol-4-yl]methyl ~{N}-[5-[[4-[5-[[4-[5-[ethanoyl(oxidanyl)amino]pentylamino]-4-oxidanylidene-butanoyl]-oxidanyl-amino]pentylamino]-4-oxidanylidene-butanoyl]-oxidanyl-amino]pentyl]carbamate
A1IGA
A1IGA
Name:Lansoprazole sulfide
Formula:C16 H14 F3 N3 O S
SMILES:Cc1c(CSc2[nH]c3ccccc3n2)nccc1OCC(F)(F)F
InChi:InChI=1S/C16H14F3N3OS/c1-10-13(20-7-6-14(10)23-9-16(17,18)19)8-24-15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)
Synonyms:2-[[3-methyl-4-[2,2,2-tris(fluoranyl)ethoxy]pyridin-2-yl]methylsulfanyl]-1H-benzimidazole
Definition date:2024-06-27
Last modified:2024-11-15
Release date:2024-11-20
Identifier:2-[[3-methyl-4-[2,2,2-tris(fluoranyl)ethoxy]pyridin-2-yl]methylsulfanyl]-1~{H}-benzimidazole
5X6
5X6
Name:Zeaxanthin
Formula:C40 H56 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/C40H56O2/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/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15?,30-16?,31-19+,32-20+/t35-,36-/m1/s1
Synonyms:(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
Definition date:2015-12-17
Last modified:2024-11-15
Release date:2024-02-14
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-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol
35L
35L
Name:IRON/SULFUR CLUSTER
Formula:Fe4 S4
SMILES:S.[Fe]S[Fe]S[Fe]S[Fe]
InChi:InChI=1S/4Fe.H2S.3S/h
Definition date:2014-06-20
Last modified:2024-11-15
Release date:2024-09-18
HHU
HHU
Name:[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-formamido-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
Formula:C10 H14 N3 O9 P
SMILES:O[CH]1[CH](CO[P](O)(O)=O)O[CH]([CH]1NC=O)N2C=CC(=O)NC2=O
InChi:InChI=1S/C10H14N3O9P/c14-4-11-7-8(16)5(3-21-23(18,19)20)22-9(7)13-2-1-6(15)12-10(13)17/h1-2,4-5,7-9,16H,3H2,(H,11,14)(H,12,15,17)(H2,18,19,20)/t5-,7-,8-,9-/m1/s1
Definition date:2021-01-13
Last modified:2024-11-15
Release date:2024-11-20
Identifier:[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-formamido-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
X56
X56
Name:Cefazolin
Formula:C14 H14 N8 O4 S3
SMILES:Cc1sc(SCC2=C(N3[CH](SC2)[CH](NC(=O)Cn4cnnn4)C3=O)C(O)=O)nn1
InChi:InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-/m1/s1
Definition date:2023-10-30
Last modified:2024-11-13
Release date:2024-08-07
Identifier:(6~{R},7~{R})-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxidanylidene-7-[2-(1,2,3,4-tetrazol-1-yl)ethanoylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
R5B
R5B
Name:RUTHENIUM WIRE WC5
Formula:C45 H61 N7 O Ru
SMILES:O(c1cccc(N(C)C)c1)CCCCCC4=C3C=CC2=CC=CN8C2=C3N(C=C4)[Ru]86%11(N7C(C5N6CCCC5)CCCC7)N9CCC=CC9C%10N%11CCCC%10
InChi:InChI=1S/C25H27N3O.C10H18N2.C10H16N2.Ru/c1-28(2)21-10-6-11-22(18-21)29-17-5-3-4-8-19-14-16-27-25-23(19)13-12-20-9-7-15-26-24(20)25
Synonyms:BIS[1H,1'H-2,2'-BIPYRIDINATO(2-)-KAPPA~2~N~1~,N~1'~][3-{[5-(1,10-DIHYDRO-1,10-PHENANTHROLIN-4-YL-KAPPA~2~N~1~,N~10~)PENTYL]OXY}-N,N-DIMETHYLANILINATO(2-)]RUTHENIUM
Definition date:2006-02-21
Last modified:2024-11-13
Identifier:[(2R,2'S)-2,2'-bipiperidinato(2-)-kappa~2~N~1~,N~1'~][3-{[5-(1,10-dihydro-1,10-phenanthrolin-4-yl-kappa~2~N~1~,N~10~)pentyl]oxy}-N,N-dimethylanilinato(2-)][(6S)-6-[(2R)-piperidin-2-yl-kappaN]-1,2,3,6-tetrahydropyridinato(2-)-kappaN]ruthenium
VBU
VBU
Name:Clozapine
Formula:C18 H19 Cl N4
SMILES:CN1CCN(CC1)C2=Nc3cc(Cl)ccc3Nc4ccccc24
InChi:InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
Synonyms:3-chloranyl-6-(4-methylpiperazin-1-yl)-11~{H}-benzo[b][1,4]benzodiazepine
Definition date:2023-07-14
Last modified:2024-11-12
Release date:2024-03-20
Identifier:3-chloranyl-6-(4-methylpiperazin-1-yl)-11~{H}-benzo[b][1,4]benzodiazepine
Y53
Y53
Name:Branaplam
Formula:C22 H27 N5 O2
SMILES:CC1(C)CC(CC(C)(C)N1)Oc2ccc(nn2)c3ccc(cc3O)c4c[nH]nc4
InChi:InChI=1S/C22H27N5O2/c1-21(2)10-16(11-22(3,4)27-21)29-20-8-7-18(25-26-20)17-6-5-14(9-19(17)28)15-12-23-24-13-15/h5-9,12-13,16,27-28H,10-11H2,1-4H3,(H,23,24)
Synonyms:5-(1~{H}-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol
Definition date:2023-11-21
Last modified:2024-11-11
Release date:2024-03-06
Identifier:5-(1~{H}-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol
XEF
XEF
Name:Ziprasidone
Formula:C21 H21 Cl N4 O S
SMILES:Clc1cc2NC(=O)Cc2cc1CCN3CCN(CC3)c4nsc5ccccc45
InChi:InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Synonyms:5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloranyl-1,3-dihydroindol-2-one
Definition date:2023-10-31
Last modified:2024-11-11
Release date:2024-08-07
Identifier:5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloranyl-1,3-dihydroindol-2-one
UIY
UIY
Name:AB-8939
Formula:C22 H24 N4 O3
SMILES:CCOCc1ccc(C)c(Nc2oc(cn2)c3ccc(cc3)N4CCNC4=O)c1
InChi:InChI=1S/C22H24N4O3/c1-3-28-14-16-5-4-15(2)19(12-16)25-21-24-13-20(29-21)17-6-8-18(9-7-17)26-11-10-23-22(26)27/h4-9,12-13H,3,10-11,14H2,1-2H3,(H,23,27)(H,24,25)
Synonyms:1-[4-[2-[[5-(ethoxymethyl)-2-methyl-phenyl]amino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one
Definition date:2023-02-06
Last modified:2024-11-11
Release date:2024-08-14
Identifier:1-[4-[2-[[5-(ethoxymethyl)-2-methyl-phenyl]amino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one
YKQ
YKQ
Name:Abivertinib
Formula:C26 H26 F N7 O2
SMILES:CN1CCN(CC1)c2ccc(Nc3nc4[nH]ccc4c(Oc5cccc(NC(=O)C=C)c5)n3)cc2F
InChi:InChI=1S/C26H26FN7O2/c1-3-23(35)29-17-5-4-6-19(15-17)36-25-20-9-10-28-24(20)31-26(32-25)30-18-7-8-22(21(27)16-18)34-13-11-33(2)12-14-34/h3-10,15-16H,1,11-14H2,2H3,(H,29,35)(H2,28,30,31,32)
Synonyms:~{N}-[3-[[2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide
Definition date:2023-12-05
Last modified:2024-11-11
Release date:2024-10-30
Identifier:~{N}-[3-[[2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide
VRW
VRW
Name:Nanvuranlat
Formula:C23 H19 Cl2 N3 O4
SMILES:N[CH](Cc1cc(Cl)c(OCc2cc(N)cc3nc(oc23)c4ccccc4)c(Cl)c1)C(O)=O
InChi:InChI=1S/C23H19Cl2N3O4/c24-16-6-12(8-18(27)23(29)30)7-17(25)21(16)31-11-14-9-15(26)10-19-20(14)32-22(28-19)13-4-2-1-3-5-13/h1-7,9-10,18H,8,11,26-27H2,(H,29,30)/t18-/m0/s1
Synonyms:(2~{S})-2-azanyl-3-[4-[(5-azanyl-2-phenyl-1,3-benzoxazol-7-yl)methoxy]-3,5-bis(chloranyl)phenyl]propanoic acid
Definition date:2023-08-10
Last modified:2024-11-11
Release date:2024-07-17
Identifier:(2~{S})-2-azanyl-3-[4-[(5-azanyl-2-phenyl-1,3-benzoxazol-7-yl)methoxy]-3,5-bis(chloranyl)phenyl]propanoic acid
UKI
UKI
Name:Sulfatinib
Formula:C24 H28 N6 O3 S
SMILES:CN(C)CCN[S](=O)(=O)Cc1cccc(Nc2nccc(Oc3ccc4[nH]c(C)cc4c3)n2)c1
InChi:InChI=1S/C24H28N6O3S/c1-17-13-19-15-21(7-8-22(19)27-17)33-23-9-10-25-24(29-23)28-20-6-4-5-18(14-20)16-34(31,32)26-11-12-30(2)3/h4-10,13-15,26-27H,11-12,16H2,1-3H3,(H,25,28,29)
Synonyms:N-(2-(dimethylamino)ethyl)-1-(3-((4-((2-methyl-1H-indol-5-yl)oxy)pyrimidin-2-yl)amino)phenyl)methanesulfonamide
Definition date:2023-06-08
Last modified:2024-11-11
Release date:2024-03-27
Identifier:~{N}-[2-(dimethylamino)ethyl]-1-[3-[[4-[(2-methyl-1~{H}-indol-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide
YMN
YMN
Name:Iobenguane
Formula:C8 H10 I N3
SMILES:NC(=N)NCc1cccc(I)c1
InChi:InChI=1S/C8H10IN3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5H2,(H4,10,11,12)
Synonyms:1-[(3-iodanylphenyl)methyl]guanidine
Definition date:2023-12-06
Last modified:2024-11-11
Release date:2024-06-26
Identifier:1-[(3-iodanylphenyl)methyl]guanidine
Y9J
Y9J
Name:Treprostinil
Formula:C23 H34 O5
SMILES:CCCCC[CH](O)CC[CH]1[CH](O)C[CH]2Cc3c(C[CH]12)cccc3OCC(O)=O
InChi:InChI=1S/C23H34O5/c1-2-3-4-7-17(24)9-10-18-19-11-15-6-5-8-22(28-14-23(26)27)20(15)12-16(19)13-21(18)25/h5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27)/t16-,17-,18+,19-,21+/m0/s1
Synonyms:2-[[(1~{R},2~{R},3~{a}~{S},9~{a}~{S})-2-oxidanyl-1-[(3~{S})-3-oxidanyloctyl]-2,3,3~{a},4,9,9~{a}-hexahydro-1~{H}-cyclopenta[g]naphthalen-5-yl]oxy]ethanoic acid
Definition date:2023-11-28
Last modified:2024-11-11
Release date:2024-03-06
Identifier:2-[[(1~{R},2~{R},3~{a}~{S},9~{a}~{S})-2-oxidanyl-1-[(3~{S})-3-oxidanyloctyl]-2,3,3~{a},4,9,9~{a}-hexahydro-1~{H}-cyclopenta[g]naphthalen-5-yl]oxy]ethanoic acid
YNT
YNT
Name:Radafaxine
Formula:C13 H18 Cl N O2
SMILES:C[CH]1NC(C)(C)CO[C]1(O)c2cccc(Cl)c2
InChi:InChI=1S/C13H18ClNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m0/s1
Synonyms:(2~{S},3~{S})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholin-2-ol
Definition date:2023-12-07
Last modified:2024-11-11
Release date:2024-07-10
Identifier:(2~{S},3~{S})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholin-2-ol
O6U
O6U
Name:Nirogacestat
Formula:C27 H41 F2 N5 O
SMILES:CCC[CH](N[CH]1CCc2cc(F)cc(F)c2C1)C(=O)Nc3cn(cn3)C(C)(C)CNCC(C)(C)C
InChi:InChI=1S/C27H41F2N5O/c1-7-8-23(32-20-10-9-18-11-19(28)12-22(29)21(18)13-20)25(35)33-24-14-34(17-31-24)27(5,6)16-30-15-26(2,3)4/h11-12,14,17,20,23,30,32H,7-10,13,15-16H2,1-6H3,(H,33,35)/t20-,23-/m0/s1
Definition date:2023-08-23
Last modified:2024-11-11
Release date:2024-08-14
Identifier:(2~{S})-2-[[(2~{S})-6,8-bis(fluoranyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-~{N}-[1-[1-(2,2-dimethylpropylamino)-2-methyl-propan-2-yl]imidazol-4-yl]pentanamide
X8Q
X8Q
Name:Psilocybin
Formula:C12 H17 N2 O4 P
SMILES:CN(C)CCc1c[nH]c2cccc(O[P](O)(O)=O)c12
InChi:InChI=1S/C12H17N2O4P/c1-14(2)7-6-9-8-13-10-4-3-5-11(12(9)10)18-19(15,16)17/h3-5,8,13H,6-7H2,1-2H3,(H2,15,16,17)
Synonyms:[3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-yl] dihydrogen phosphate
Definition date:2023-10-25
Last modified:2024-11-11
Release date:2024-04-03
Identifier:[3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-yl] dihydrogen phosphate
SD9
SD9
Name:Cimetidine
Formula:C10 H16 N6 S
SMILES:CNC(NCCSCc1nc[nH]c1C)=NC#N
InChi:InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
Synonyms:2-cyano-1-methyl-3-[2-[(5-methyl-1~{H}-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
Definition date:2023-04-11
Last modified:2024-11-11
Release date:2024-09-18
Identifier:2-cyano-1-methyl-3-[2-[(5-methyl-1~{H}-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
TF9
TF9
Name:acetohexamide
Formula:C15 H20 N2 O4 S
SMILES:CC(=O)c1ccc(cc1)[S](=O)(=O)NC(=O)NC2CCCCC2
InChi:InChI=1S/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19)
Synonyms:1-cyclohexyl-3-(4-ethanoylphenyl)sulfonyl-urea
Definition date:2023-04-21
Last modified:2024-11-11
Release date:2024-04-24
Identifier:1-cyclohexyl-3-(4-ethanoylphenyl)sulfonyl-urea
Q70
Q70
Name:Osugacestat
Formula:C26 H26 F6 N4 O3
SMILES:CN1C(=O)[CH](NC(=O)[CH](CCC(F)(F)F)[CH](CCC(F)(F)F)C(N)=O)N=C(c2ccccc2)c3ccccc13
InChi:InChI=1S/C26H26F6N4O3/c1-36-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)34-22(24(36)39)35-23(38)17(12-14-26(30,31)32)16(21(33)37)11-13-25(27,28)29/h2-10,16-17,22H,11-14H2,1H3,(H2,33,37)(H,35,38)/t16-,17+,22+/m0/s1
Definition date:2023-08-28
Last modified:2024-11-11
Release date:2024-08-14
Identifier:(2~{S},3~{R})-~{N}'-[(3~{S})-1-methyl-2-oxidanylidene-5-phenyl-3~{H}-1,4-benzodiazepin-3-yl]-2,3-bis[3,3,3-tris(fluoranyl)propyl]butanediamide
OL9
OL9
Name:MK-0752
Formula:C21 H21 Cl F2 O4 S
SMILES:OC(=O)CC[CH]1CC[C](CC1)(c2cc(F)ccc2F)[S](=O)(=O)c3ccc(Cl)cc3
InChi:InChI=1S/C21H21ClF2O4S/c22-15-2-5-17(6-3-15)29(27,28)21(18-13-16(23)4-7-19(18)24)11-9-14(10-12-21)1-8-20(25)26/h2-7,13-14H,1,8-12H2,(H,25,26)/t14-,21+
Definition date:2023-08-23
Last modified:2024-11-11
Release date:2024-08-14
Identifier:3-[4-[2,5-bis(fluoranyl)phenyl]-4-(4-chlorophenyl)sulfonyl-cyclohexyl]propanoic acid
WJ9
WJ9
Name:Exarafenib
Formula:C26 H34 F3 N5 O3
SMILES:C[CH](CO)Nc1cc(cc(n1)N2CCOCC2)c3cc(NC(=O)N4CC[CH](C4)CC(F)(F)F)ccc3C
InChi:InChI=1S/C26H34F3N5O3/c1-17-3-4-21(31-25(36)34-6-5-19(15-34)14-26(27,28)29)13-22(17)20-11-23(30-18(2)16-35)32-24(12-20)33-7-9-37-10-8-33/h3-4,11-13,18-19,35H,5-10,14-16H2,1-2H3,(H,30,32)(H,31,36)/t18-,19+/m1/s1
Synonyms:(3~{S})-~{N}-[4-methyl-3-[2-morpholin-4-yl-6-[[(2~{R})-1-oxidanylpropan-2-yl]amino]pyridin-4-yl]phenyl]-3-[2,2,2-tris(fluoranyl)ethyl]pyrrolidine-1-carboxamide
Definition date:2023-10-05
Last modified:2024-11-11
Release date:2024-01-24
Identifier:(3~{S})-~{N}-[4-methyl-3-[2-morpholin-4-yl-6-[[(2~{R})-1-oxidanylpropan-2-yl]amino]pyridin-4-yl]phenyl]-3-[2,2,2-tris(fluoranyl)ethyl]pyrrolidine-1-carboxamide
A1D5A
A1D5A
Name:Cloprostenol
Formula:C22 H29 Cl O6
SMILES:O[CH](COc1cccc(Cl)c1)C=C[CH]2[CH](O)C[CH](O)[CH]2CC=CCCCC(O)=O
InChi:InChI=1S/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1-,11-10+/t16-,18-,19-,20+,21-/m1/s1
Definition date:2023-12-28
Last modified:2024-11-11
Release date:2024-02-28
Identifier:(~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E},3~{R})-4-(3-chloranylphenoxy)-3-oxidanyl-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid

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数据于2025-10-15公开中

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