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LIB
LIB
Name:3-(2-CHLOROPHENYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA
Formula:C23 H26 Cl N5 O3
SMILES:Clc1ccccc1NC(=O)N(c2nc(ncc2)NC(C(O)(C)C)C)c3ccc(OC)cc3
InChi:InChI=1S/C23H26ClN5O3/c1-15(23(2,3)31)26-21-25-14-13-20(28-21)29(16-9-11-17(32-4)12-10-16)22(30)27-19-8-6-5-7-18(19)24/h5-15,31H,1-4H3,(H,27,30)(H,25,26,28)/t15-/m0/s1
Synonyms:3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE
Definition date:2006-03-28
Last modified:2021-03-13
Identifier:3-(2-chlorophenyl)-1-(2-{[(1S)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)urea
BSC
BSC
Name:(2S)-2-amino-4-(S-butylsulfonimidoyl)butanoic acid
Formula:C8 H18 N2 O3 S
SMILES:CCCCS(=N)(=O)CCC(C(=O)O)N
InChi:InChI=1S/C8H18N2O3S/c1-2-3-5-14(10,13)6-4-7(9)8(11)12/h7,10H,2-6,9H2,1H3,(H,11,12)/t7-,14+/m0/s1
Synonyms:L-BUTHIONINE-[S,R]-SULFOXIMINE
Definition date:2006-05-05
Last modified:2021-03-13
Identifier:(2S)-2-amino-4-(S-butylsulfonimidoyl)butanoic acid
LID
LID
Name:8-(2-CHLOROPHENYLAMINO)-2-(2,6-DIFLUOROPHENYLAMINO)-9-ETHYL-9H-PURINE-1,7-DIIUM
Formula:C19 H15 Cl F2 N6
SMILES:Fc1cccc(F)c1Nc2ncc3nc(n(c3n2)CC)Nc4ccccc4Cl
InChi:InChI=1S/C19H15ClF2N6/c1-2-28-17-15(25-19(28)24-14-9-4-3-6-11(14)20)10-23-18(27-17)26-16-12(21)7-5-8-13(16)22/h3-10H,2H2,1H3,(H,24,25)(H,23,26,27)
Synonyms:3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE
Definition date:2006-05-01
Last modified:2021-03-13
Identifier:N~8~-(2-chlorophenyl)-N~2~-(2,6-difluorophenyl)-9-ethyl-9H-purine-2,8-diamine
VOR
VOR
Name:Voriconazole
Formula:C16 H14 F3 N5 O
SMILES:Fc1cncnc1C(C(O)(c2ccc(F)cc2F)Cn3ncnc3)C
InChi:InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1
Synonyms:(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
Definition date:2010-04-01
Last modified:2021-03-13
Identifier:(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
XYD
XYD
Name:2,5-DIMETHYLANILINE
Formula:C8 H11 N
SMILES:Nc1cc(ccc1C)C
InChi:InChI=1S/C8H11N/c1-6-3-4-7(2)8(9)5-6/h3-5H,9H2,1-2H3
Synonyms:2,5-XYLIDINE
Definition date:2002-02-07
Last modified:2021-03-13
Identifier:2,5-dimethylaniline
BSO
BSO
Name:BIOTIN-D-SULFOXIDE
Formula:C10 H16 N2 O4 S
SMILES:O=S2CC1NC(=O)NC1C2CCCCC(=O)O
InChi:InChI=1S/C10H16N2O4S/c13-8(14)4-2-1-3-7-9-6(5-17(7)16)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-,17-/m0/s1
Synonyms:5-[(3AR,4R,6AS)-5-OXIDO-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANOIC ACID
Definition date:2005-09-19
Last modified:2021-03-13
Identifier:5-[(3aS,4S,5S,6aR)-5-oxido-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
SUB
SUB
Name:3-PHENYL-2-{[4-(TOLUENE-4-SULFONYL)-THIOMORPHOLINE-3-CARBONYL]-AMINO}-PROPIONIC ACID ETHYL ESTER
Formula:C23 H28 N2 O5 S2
SMILES:O=S(=O)(N2C(C(=O)NC(C(=O)OCC)Cc1ccccc1)CSCC2)c3ccc(cc3)C
InChi:InChI=1S/C23H28N2O5S2/c1-3-30-23(27)20(15-18-7-5-4-6-8-18)24-22(26)21-16-31-14-13-25(21)32(28,29)19-11-9-17(2)10-12-19/h4-12,20-21H,3,13-16H2,1-2H3,(H,24,26)/t20-,21-/m0/s1
Synonyms:(3R)-4-(P-TOLUENESULFONYL)-1,4-THIAZANE-3-CARBOXYLIC ACID-L-PHENYLALANINE ETHYL ESTER
Definition date:2001-10-18
Last modified:2021-03-13
Identifier:ethyl N-({(3R)-4-[(4-methylphenyl)sulfonyl]thiomorpholin-3-yl}carbonyl)-L-phenylalaninate
X2O
X2O
Name:(2R)-2-AMINO-3-[(2R)-2-METHYL-1,1-DIPHENYL-BUTYL]SULFANYL-PROPANOIC ACID
Formula:C20 H25 N O2 S
SMILES:O=C(O)C(N)CSC(c1ccccc1)(c2ccccc2)C(C)CC
InChi:InChI=1S/C20H25NO2S/c1-3-15(2)20(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-14-18(21)19(22)23/h4-13,15,18H,3,14,21H2,1-2H3,(H,22,23)/t15-,18+/m1/s1
Synonyms:S-[(2R)-2-METHYL-1,1-DIPHENYLBUTYL]-L-CYSTEINE
Definition date:2010-01-15
Last modified:2021-03-13
Identifier:S-[(2R)-2-methyl-1,1-diphenylbutyl]-L-cysteine
RML
RML
Name:(11,12-dimethyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium(2+)
Formula:C40 H26 N12 Ru
SMILES:n1c3c6c5c4c(c3nc2c1cc(c(c2)C)C)cccn4[Ru+2]%12%10(n5ccc6)(n7c9c(ncc7)ccc8nccn%10c89)n%13c%14c%11c(nccn%11%12)ccc%14ncc%13
InChi:InChI=1S/C20H14N4.2C10H6N4.Ru/c1-11-9-15-16(10-12(11)2)24-20-14-6-4-8-22-18(14)17-13(19(20)23-15)5-3-7-21-17
Synonyms:Lambda-[Ru(1,4,5,8-tetraazaphenanthrene)2(11,12-dimethyl-dipyridophenazine)]2+
Definition date:2012-03-07
Last modified:2021-03-13
Release date:2013-03-06
Identifier:(11,12-dimethyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium(2+)
S13
S13
Name:(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(4-methylphenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol
Formula:C15 H21 N O6
SMILES:O1C(C(O)C(O)C(O)C13ONC(c2ccc(cc2)C)C3)CO
InChi:InChI=1S/C15H21NO6/c1-8-2-4-9(5-3-8)10-6-15(22-16-10)14(20)13(19)12(18)11(7-17)21-15/h2-5,10-14,16-20H,6-7H2,1H3/t10-,11+,12+,13-,14+,15+/m0/s1
Synonyms:(1R)-3'-(4-methylphenyl)-spiro[1,5-anhydro-D-glucitol-1,5'-isoxazoline]
Definition date:2007-09-04
Last modified:2021-03-13
Identifier:(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(4-methylphenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol
LJ2
LJ2
Name:2,6-dibromo-4-[(E)-2-phenylethenyl]phenol
Formula:C14 H10 Br2 O
SMILES:Brc1cc(cc(Br)c1O)C=Cc2ccccc2
InChi:InChI=1S/C14H10Br2O/c15-12-8-11(9-13(16)14(12)17)7-6-10-4-2-1-3-5-10/h1-9,17H/b7-6+
Synonyms:3,5-Dibromo-4-hydroxystilbene
Definition date:2008-03-25
Last modified:2021-03-13
Identifier:2,6-dibromo-4-[(E)-2-phenylethenyl]phenol
VAW
VAW
Name:(2S,3R,4S)-methyl 4-(2-(2-(1H-indol-3-yl)ethylamino)ethyl)-2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate
Formula:C27 H36 N2 O9
SMILES:O=C(OC)C2=COC(OC1OC(C(O)C(O)C1O)CO)C(C=C)C2CCNCCc4c3ccccc3nc4
InChi:InChI=1S/C27H36N2O9/c1-3-16-18(9-11-28-10-8-15-12-29-20-7-5-4-6-17(15)20)19(25(34)35-2)14-36-26(16)38-27-24(33)23(32)22(31)21(13-30)37-27/h3-7,12,14,16,18,21-24,26-33H,1,8-11,13H2,2H3/t16-,18+,21-,22-,23+,24-,26+,27+/m1/s1
Synonyms:methyl (2S,3R,4S)-3-ethenyl-2-(beta-D-glucopyranosyloxy)-4-(2-{[2-(1H-indol-3-yl)ethyl]amino}ethyl)-3,4-dihydro-2H-pyran-5-carboxylate
Definition date:2007-09-04
Last modified:2021-03-13
Identifier:methyl (2S,3R,4S)-3-ethenyl-2-(beta-D-glucopyranosyloxy)-4-(2-{[2-(1H-indol-3-yl)ethyl]amino}ethyl)-3,4-dihydro-2H-pyran-5-carboxylate
VAZ
VAZ
Name:N^6^-{(1R)-2-{[(1S,2R)-1-carboxy-2-hydroxy-2-(methylsulfanyl)ethyl]oxy}-1-[(oxidosulfanyl)methyl]-2-oxoethyl}-6-oxo-L-lysine
Formula:C13 H22 N2 O9 S2
SMILES:O=C(OC(C(=O)O)C(O)SC)C(NC(=O)CCCC(C(=O)O)N)CS=O
InChi:InChI=1S/C13H22N2O9S2/c1-25-13(22)9(11(19)20)24-12(21)7(5-26-23)15-8(16)4-2-3-6(14)10(17)18/h6-7,9,13,22,26H,2-5,14H2,1H3,(H,15,16)(H,17,18)(H,19,20)/t6-,7-,9-,13-/m0/s1
Synonyms:(S)-2-amino-6-((R)-1-((1S,2S)-1-carboxy-2-hydroxy-2-(methylthio)ethoxy)-3-hydrosulfinyl-1-oxopropan-2-ylamino)-6-oxohexanoic acid
Definition date:2007-09-07
Last modified:2021-03-13
Identifier:N~6~-{(1R)-2-{[(1S,2S)-1-carboxy-2-hydroxy-2-(methylsulfanyl)ethyl]oxy}-1-[(oxidosulfanyl)methyl]-2-oxoethyl}-6-oxo-L-lysine
RMY
RMY
Name:ethyl 3-O-[5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl]-1-thio-beta-D-galactopyranoside
Formula:C19 H33 N O13 S
SMILES:O=C(O)C2(OC1C(O)C(SCC)OC(CO)C1O)OC(C(NC(=O)C)C(O)C2)C(O)C(O)CO
InChi:InChI=1S/C19H33NO13S/c1-3-34-17-14(28)16(13(27)10(6-22)31-17)33-19(18(29)30)4-8(24)11(20-7(2)23)15(32-19)12(26)9(25)5-21/h8-17,21-22,24-28H,3-6H2,1-2H3,(H,20,23)(H,29,30)/t8-,9+,10+,11+,12+,13-,14+,15+,16-,17-,19-/m0/s1
Synonyms:alpha-2,3-sialyl (1-thioethyl)galactose
Definition date:2011-04-13
Last modified:2021-03-13
Identifier:ethyl 3-O-[5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl]-1-thio-beta-D-galactopyranoside
PN0
PN0
Name:Prinomastat
Formula:C18 H21 N3 O5 S2
SMILES:O=S(=O)(N1C(C(=O)NO)C(SCC1)(C)C)c3ccc(Oc2ccncc2)cc3
InChi:InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1
Synonyms:(3S)-N-hydroxy-2,2-dimethyl-4-{[4-(pyridin-4-yloxy)phenyl]sulfonyl}thiomorpholine-3-carboxamide
Definition date:2011-02-10
Last modified:2021-03-13
Identifier:(3S)-N-hydroxy-2,2-dimethyl-4-{[4-(pyridin-4-yloxy)phenyl]sulfonyl}thiomorpholine-3-carboxamide
VQ1
VQ1
Name:N-Acetylpuromycin
Formula:C24 H31 N7 O6
SMILES:C2(C(NC(C(NC(C)=O)Cc1ccc(OC)cc1)=O)C(CO)OC2n3cnc4c3ncnc4N(C)C)O
InChi:InChI=1S/C24H31N7O6/c1-13(33)28-16(9-14-5-7-15(36-4)8-6-14)23(35)29-18-17(10-32)37-24(20(18)34)31-12-27-19-21(30(2)3)25-11-26-22(19)31/h5-8,11-12,16-18,20,24,32,34H,9-10H2,1-4H3,(H,28,33)(H,29,35)/t16-,17+,18+,20+,24+/m0/s1
Synonyms:3'-[(N-acetyl-O-methyl-L-tyrosyl)amino]-3'-deoxy-N,N-dimethyladenosine
Definition date:2020-09-04
Last modified:2021-03-13
Release date:2021-03-17
Identifier:3'-[(N-acetyl-O-methyl-L-tyrosyl)amino]-3'-deoxy-N,N-dimethyladenosine
PNK
PNK
Name:(2R,4S)-2-{(R)-carboxy[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Formula:C16 H20 N2 O5 S
SMILES:O=C(NC(C(=O)O)C1SC(C(N1)C(=O)O)(C)C)Cc2ccccc2
InChi:InChI=1S/C16H20N2O5S/c1-16(2)12(15(22)23)18-13(24-16)11(14(20)21)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-13,18H,8H2,1-2H3,(H,17,19)(H,20,21)(H,22,23)/t11-,12-,13+/m0/s1
Synonyms:Penicillin, hydroxylated form
Definition date:2009-06-22
Last modified:2021-03-13
Identifier:(2R,4S)-2-{(R)-carboxy[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
ANH
ANH
Name:METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE
Formula:C20 H24 N4 O5 S
SMILES:O=S(=O)(c1ccc(cc1)C)NCC(=O)NC(C(=O)OC)Cc2cc(ccc2)C(=[N@H])N
InChi:InChI=1S/C20H24N4O5S/c1-13-6-8-16(9-7-13)30(27,28)23-12-18(25)24-17(20(26)29-2)11-14-4-3-5-15(10-14)19(21)22/h3-10,17,23H,11-12H2,1-2H3,(H3,21,22)(H,24,25)/t17-/m0/s1
Synonyms:NALPHA-(2-NAPHTHYLSULFONYLGLYCYL)-3-AMIDINO-D,L-PHENYLALANINE-ISOPROPYLESTER
Definition date:2003-10-20
Last modified:2021-03-13
Identifier:methyl N-[(4-methylphenyl)sulfonyl]glycyl-3-carbamimidoyl-L-phenylalaninate
N6R
N6R
Name:(2R)-N6-(1-Methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate
Formula:C19 H22 N5 O6 P
SMILES:O=P4(OCC5OC(n2c3ncnc(NC(C)Cc1ccccc1)c3nc2)C(O)C5O4)O
InChi:InChI=1S/C19H22N5O6P/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-15(25)16-13(29-19)8-28-31(26,27)30-16/h2-6,9-11,13,15-16,19,25H,7-8H2,1H3,(H,26,27)(H,20,21,23)/t11-,13+,15-,16+,19-/m1/s1
Synonyms:(2R,4aS,6R,7R,7aR)-6-(6-{[(1R)-1-methyl-2-phenylethyl]amino}-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide
Definition date:2009-07-08
Last modified:2021-03-13
Identifier:(2R,4aS,6R,7R,7aR)-6-(6-{[(1R)-1-methyl-2-phenylethyl]amino}-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide
U4M
U4M
Name:1-{2,5-dideoxy-2-fluoro-4-[(phosphonooxy)methyl]-alpha-L-lyxofuranosyl}pyrimidine-2,4(1H,3H)-dione
Formula:C10 H14 F N2 O8 P
SMILES:C1(OC(C(C1F)O)(COP(O)(=O)O)C)N2C(NC(C=C2)=O)=O
InChi:InChI=1S/C10H14FN2O8P/c1-10(4-20-22(17,18)19)7(15)6(11)8(21-10)13-3-2-5(14)12-9(13)16/h2-3,6-8,15H,4H2,1H3,(H,12,14,16)(H2,17,18,19)/t6-,7+,8-,10-/m1/s1
Synonyms:2'-F,4'-alpha-methyl uridine 5--(dihydrogen phosphate)
Definition date:2018-04-06
Last modified:2021-03-13
Release date:2018-08-29
Identifier:1-{2,5-dideoxy-2-fluoro-4-[(phosphonooxy)methyl]-alpha-L-lyxofuranosyl}pyrimidine-2,4(1H,3H)-dione
W7E
W7E
Name:2-[[4-[2-[[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxidanylidene-propyl]carbamoylamino]ethoxy]phenyl]methyl]propanedioic acid
Formula:C24 H26 N4 O7 S
SMILES:O=C(O)C(C(=O)O)Cc3ccc(OCCNC(=O)NCCC(=O)Nc1ccc2nc(sc2c1)C)cc3
InChi:InChI=1S/C24H26N4O7S/c1-14-27-19-7-4-16(13-20(19)36-14)28-21(29)8-9-25-24(34)26-10-11-35-17-5-2-15(3-6-17)12-18(22(30)31)23(32)33/h2-7,13,18H,8-12H2,1H3,(H,28,29)(H,30,31)(H,32,33)(H2,25,26,34)
Synonyms:2-[[4-[2-[[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxo-propyl]carbamoylamino]ethoxy]phenyl]methyl]propanedioic acid
Definition date:2012-03-01
Last modified:2021-03-13
Identifier:(4-{2-[({3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl}carbamoyl)amino]ethoxy}benzyl)propanedioic acid
YXS
YXS
Name:(2S)-sulfonatepropionyl-CoA
Formula:C24 H40 N7 O20 P3 S2
SMILES:O=P(OC1C(OC(C1O)n2cnc3c2ncnc3N)COP(OP(OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C(S(O)(=O)=O)C)(O)=O)(O)=O)(O)O
InChi:InChI=1S/C24H40N7O20P3S2/c1-12(56(44,45)46)23(36)55-7-6-26-14(32)4-5-27-21(35)18(34)24(2,3)9-48-54(42,43)51-53(40,41)47-8-13-17(50-52(37,38)39)16(33)22(49-13)31-11-30-15-19(25)28-10-29-20(15)31/h10-13,16-18,22,33-34H,4-9H2,1-3H3,(H,26,32)(H,27,35)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)(H,44,45,46)/t12-,13+,16+,17+,18-,22+/m0/s1
Synonyms:(2~{S})-1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-1-oxidanylidene-propane-2-sulfonic acid
Definition date:2019-02-25
Last modified:2021-03-13
Release date:2019-04-10
Identifier:(3S,5R,9R,20S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicosane-20-sulfonic acid 3,5-dioxide (non-preferred name)
OFF
OFF
Name:2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]-L-THREO-PENTARIC ACID
Formula:C23 H20 O10
SMILES:O=C(O)C(OC(=O)C=Cc1ccc(O)cc1)C(OC(=O)/C=C/c2ccc(O)cc2)CC(=O)O
InChi:InChI=1S/C23H20O10/c24-16-7-1-14(2-8-16)5-11-20(28)32-18(13-19(26)27)22(23(30)31)33-21(29)12-6-15-3-9-17(25)10-4-15/h1-12,18,22,24-25H,13H2,(H,26,27)(H,30,31)/b11-5+,12-6+/t18-,22+/m0/s1
Synonyms:2,3-BIS((E)-3-(4-HYDROXYPHENYL)ACRYLOYLOXY)PENTANEDIOIC ACID
Definition date:2007-01-26
Last modified:2021-03-13
Identifier:2-deoxy-3,4-bis-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-L-threo-pentaric acid
AO7
AO7
Name:4-oxo-4H-1-benzopyran-2-carboxylic acid
Formula:C10 H6 O4
SMILES:C(=O)(O)C2=CC(c1ccccc1O2)=O
InChi:InChI=1S/C10H6O4/c11-7-5-9(10(12)13)14-8-4-2-1-3-6(7)8/h1-5H,(H,12,13)
Synonyms:9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL,2-(3-HYDROXYPROPOXY)-,(1A,2A,3B,5Z,7E)
Definition date:2017-07-20
Last modified:2021-03-13
Release date:2018-09-19
Identifier:4-oxo-4H-1-benzopyran-2-carboxylic acid
VRP
VRP
Name:Myriocin
Formula:C21 H39 N O6
SMILES:C(CCCCC=CCC(C(O)C(CO)(N)C(O)=O)O)CC(CCCCCC)=O
InChi:InChI=1S/C21H39NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,12,18-19,23,25-26H,2-8,10-11,13-16,22H2,1H3,(H,27,28)/b12-9+/t18-,19+,21+/m1/s1
Synonyms:(2S,3R,4R,6E)-2-amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid
Definition date:2020-09-11
Last modified:2021-03-13
Release date:2021-02-24
Identifier:(2S,3R,4R,6E)-2-amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid

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