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3S6

3S6
Name:	prop-2-en-1-yl beta-D-galactofuranoside
Formula:	C9 H16 O6
SMILES:	O(C/C=C)C1OC(C(O)C1O)C(O)CO
InChi:	InChI=1S/C9H16O6/c1-2-3-14-9-7(13)6(12)8(15-9)5(11)4-10/h2,5-13H,1,3-4H2/t5-,6-,7-,8+,9-/m1/s1
Synonyms:	prop-2-en-1-yl beta-D-galactoside
Definition date:	2014-10-16
Last modified:	2020-07-17
Release date:	2015-07-01
Identifier:	prop-2-en-1-yl beta-D-galactofuranoside

3SA

3SA
Name:	ACARBOSE DERIVED TRISACCHARIDE
Formula:	C19 H33 N O13
SMILES:	OC3C(OC2OC(C)C(NC1C=C(CO)C(O)C(O)C1O)C(O)C2O)C(OC(O)C3O)CO
InChi:	InChI=1S/C19H33NO13/c1-5-9(20-7-2-6(3-21)10(23)13(26)11(7)24)12(25)16(29)19(31-5)33-17-8(4-22)32-18(30)15(28)14(17)27/h2,5,7-30H,3-4H2,1H3/t5-,7+,8-,9-,10-,11+,12+,13+,14-,15-,16-,17-,18+,19-/m1/s1
Synonyms:	4-O-(4,6-DIDEOXY-4-{[4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-EN-1-YL]AMINO}-BETA-D-LYXO-HEXOPYRANOSYL)-ALPHA-D-ERY THRO-HEXOPYRANOSE
Definition date:	2004-09-15
Last modified:	2020-07-17
Identifier:	4-O-(4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl)-alpha-D-glucopyranose

I57

I57
Name:	2,6-anhydro-3,4,5-trideoxy-5-[(2-methylpropanoyl)amino]-4-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-en onic acid
Formula:	C21 H26 N4 O7
SMILES:	CC(C)C(=O)N[CH]1[CH](OC(=C[CH]1n2cc(nn2)c3ccccc3)C(O)=O)[CH](O)[CH](O)CO
InChi:	InChI=1S/C21H26N4O7/c1-11(2)20(29)22-17-14(25-9-13(23-24-25)12-6-4-3-5-7-12)8-16(21(30)31)32-19(17)18(28)15(27)10-26/h3-9,11,14-15,17-19,26-28H,10H2,1-2H3,(H,22,29)(H,30,31)/t14-,15+,17+,18+,19+/m0/s1
Synonyms:	(2~{R},3~{R},4~{S})-3-(2-methylpropanoylamino)-4-(4-phenyl-1,2,3-triazol-1-yl)-2-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)pro pyl]-3,4-dihydro-2~{H}-pyran-6-carboxylic acid
Definition date:	2016-07-21
Last modified:	2020-07-17
Release date:	2017-07-12
Identifier:	(2~{R},3~{R},4~{S})-3-(2-methylpropanoylamino)-4-(4-phenyl-1,2,3-triazol-1-yl)-2-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)pro pyl]-3,4-dihydro-2~{H}-pyran-6-carboxylic acid

IAB

IAB
Name:	ISO-ACARBOSE
Formula:	C25 H43 N O18
SMILES:	O(CC1OC(O)C(O)C(O)C1O)C4OC(C(OC3OC(C)C(NC2C=C(CO)C(O)C(O)C2O)C(O)C3O)C(O)C4O)CO
InChi:	InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(29)16(33)13(8)30)15(32)20(37)25(41-6)44-22-9(4-28)43-24(21(38)18(22)35)40-5-10-14(31)17(34)19(36)23(39)42-10/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14-,15+,16+,17+,18-,19-,20-,21-,22-,23-,24+,25-/m1/s1
Synonyms:	4,6-DIDEOXY-4-{[4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-EN-1-YL]AMINO}-ALPHA-D-LYXO-HEXOPYRANOSYL-(1->4)-ALPHA-D-T HREO-HEXOPYRANOSYL-(1->6)-ALPHA-L-THREO-HEXOPYRANOSE
Definition date:	2004-09-15
Last modified:	2020-07-17
Identifier:	4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->6)-beta-D-glucopyranose

KDA

KDA
Name:	prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid
Formula:	C11 H18 O8
SMILES:	O=C(O)C1(OCC=C)OC(C(O)CO)C(O)C(O)C1
InChi:	InChI=1S/C11H18O8/c1-2-3-18-11(10(16)17)4-6(13)8(15)9(19-11)7(14)5-12/h2,6-9,12-15H,1,3-5H2,(H,16,17)/t6-,7-,8-,9-,11-/m1/s1
Synonyms:	(3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID)-2-O-ALLYL
Definition date:	2003-09-15
Last modified:	2020-07-17
Identifier:	prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid

KDB

KDB
Name:	3,4,5-trideoxy-alpha-D-erythro-oct-3-en-2-ulopyranosonic acid
Formula:	C8 H12 O6
SMILES:	OC1(C(=O)O)C=CCC(C(CO)O)O1
InChi:	InChI=1S/C8H12O6/c9-4-5(10)6-2-1-3-8(13,14-6)7(11)12/h1,3,5-6,9-10,13H,2,4H2,(H,11,12)/t5-,6+,8-/m1/s1
Synonyms:	3,4-dehydro-3,4,5-trideoxy-alpha-D-manno-oct-2-ulosonic acid
Definition date:	2008-01-04
Last modified:	2020-07-17
Identifier:	3,4,5-trideoxy-alpha-D-erythro-oct-3-en-2-ulopyranosonic acid

KDE

KDE
Name:	prop-2-en-1-yl 3-deoxy-beta-L-gulo-oct-2-ulopyranosidonic acid
Formula:	C11 H18 O8
SMILES:	O=C(O)C1(OCC=C)OC(C(O)CO)C(O)C(O)C1
InChi:	InChI=1S/C11H18O8/c1-2-3-18-11(10(16)17)4-6(13)8(15)9(19-11)7(14)5-12/h2,6-9,12-15H,1,3-5H2,(H,16,17)/t6-,7+,8-,9-,11-/m1/s1
Synonyms:	ALPHA-7-EPI-(3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID)-2-O-ALLYL
Definition date:	2008-01-18
Last modified:	2020-07-17
Identifier:	prop-2-en-1-yl 3-deoxy-beta-L-gulo-oct-2-ulopyranosidonic acid

KDR

KDR
Name:	prop-2-en-1-yl 3-deoxy-alpha-D-manno-octos-2-ulopyranoside
Formula:	C11 H18 O7
SMILES:	O=CC1(OCC=C)OC(C(O)CO)C(O)C(O)C1
InChi:	InChI=1S/C11H18O7/c1-2-3-17-11(6-13)4-7(14)9(16)10(18-11)8(15)5-12/h2,6-10,12,14-16H,1,3-5H2/t7-,8-,9-,10-,11-/m1/s1
Synonyms:	prop-2-en-1-yl 3-deoxy-alpha-D-manno-octos-2-uloside
Definition date:	2008-01-14
Last modified:	2020-07-17
Identifier:	prop-2-en-1-yl 3-deoxy-alpha-D-manno-octos-2-ulopyranoside

ETT

ETT
Name:	5-acetamido-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-(4-methylphenyl)prop-2-en-1-yl]-D-glycero-D-galacto-non-2-enonic acid
Formula:	C21 H27 N O8
SMILES:	O=C(O)C=1OC(C(O)C(O)CO)C(NC(=O)C)C(O)C=1CC=Cc2ccc(cc2)C
InChi:	InChI=1S/C21H27NO8/c1-11-6-8-13(9-7-11)4-3-5-14-17(26)16(22-12(2)24)20(18(27)15(25)10-23)30-19(14)21(28)29/h3-4,6-9,15-18,20,23,25-27H,5,10H2,1-2H3,(H,22,24)(H,28,29)/b4-3+/t15-,16-,17+,18-,20-/m1/s1
Synonyms:	5-(acetylamino)-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-(4-methylphenyl)prop-2-en-1-yl]-D-glycero-D-galacto-non-2-enonic acid
Definition date:	2010-11-24
Last modified:	2020-07-17
Identifier:	5-(acetylamino)-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-(4-methylphenyl)prop-2-en-1-yl]-D-glycero-D-galacto-non-2-enonic acid

291

291
Name:	prop-2-en-1-yl 7-O-carbamoyl-L-glycero-alpha-D-manno-heptopyranoside
Formula:	C11 H19 N O8
SMILES:	O=C(OCC(O)C1OC(OC/C=C)C(O)C(O)C1O)N
InChi:	InChI=1S/C11H19NO8/c1-2-3-18-10-8(16)6(14)7(15)9(20-10)5(13)4-19-11(12)17/h2,5-10,13-16H,1,3-4H2,(H2,12,17)/t5-,6-,7-,8-,9+,10-/m0/s1
Synonyms:	prop-2-en-1-yl 7-O-carbamoyl-L-glycero-alpha-D-manno-heptoside
Definition date:	2007-11-09
Last modified:	2020-07-17
Identifier:	prop-2-en-1-yl 7-O-carbamoyl-L-glycero-alpha-D-manno-heptopyranoside

Q6B

Q6B
Name:	[(6~{S},7~{S},9~{Z},12~{R})-12-[(~{Z},2~{S},6~{R},7~{R},9~{R})-4,6-dimethyl-7,9-bis(oxidanyl)dec-4-en-2-yl]-7,9-dimethyl-2-oxidanylidene-1-oxacyclododec-9-en-6-yl] (2~{E},4~{E},6~{E},8~{E},10~{E},12~{S},13~{S},15~{S})-4,6,10-trimethyl-12,13,15-tris(oxidanyl)hexadeca-2,4,6,8,10-pentaenoate
Formula:	C44 H70 O9
SMILES:	C[CH](O)C[CH](O)[CH](C)C=C(C)C[CH](C)[CH]1CC=C(C)C[CH](C)[CH](CCCC(=O)O1)OC(=O)C=CC(C)=CC(C)=CC=CC(C)=C[CH](O)[CH](O)C[CH](C)O
InChi:	InChI=1S/C44H70O9/c1-28(13-11-14-29(2)25-39(48)40(49)27-37(10)46)21-30(3)18-20-44(51)52-41-15-12-16-43(50)53-42(19-17-31(4)22-34(41)7)35(8)24-32(5)23-33(6)38(47)26-36(9)45/h11,13-14,17-18,20-21,23,25,33-42,45-49H,12,15-16,19,22,24,26-27H2,1-10H3/b14-11+,20-18+,28-13+,29-25+,30-21+,31-17-,32-23-/t33-,34+,35+,36-,37+,38-,39+,40+,41+,42-/m1/s1
Definition date:	2020-05-22
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	[(6~{S},7~{S},9~{Z},12~{R})-12-[(~{Z},2~{S},6~{R},7~{R},9~{R})-4,6-dimethyl-7,9-bis(oxidanyl)dec-4-en-2-yl]-7,9-dimethyl-2-oxidanylidene-1-oxacyclododec-9-en-6-yl] (2~{E},4~{E},6~{E},8~{E},10~{E},12~{S},13~{S},15~{S})-4,6,10-trimethyl-12,13,15-tris(oxidanyl)hexadeca-2,4,6,8,10-pentaenoate

QPS

QPS
Name:	BETA-ACARBOSE
Formula:	C25 H43 N O18
SMILES:	O(C1C(OC(O)C(O)C1O)CO)C4OC(C(OC3OC(C)C(NC2C=C(CO)C(O)C(O)C2O)C(O)C3O)C(O)C4O)CO
InChi:	InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-/m1/s1
Synonyms:	4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4) -alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranose
Definition date:	2008-06-03
Last modified:	2020-07-17
Identifier:	4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranose

DAF

DAF
Name:	4,6-dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-D-xylo-hex-5-enopyranose
Formula:	C13 H17 N O8
SMILES:	O=CC2=CC(NC1C(/OC(O)C(O)C1O)=C)C(O)C(O)C2=O
InChi:	InChI=1S/C13H17NO8/c1-4-7(10(18)12(20)13(21)22-4)14-6-2-5(3-15)8(16)11(19)9(6)17/h2-3,6-7,9-14,17-21H,1H2/t6-,7+,9-,10-,11-,12+,13-/m0/s1
Synonyms:	4,6-dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-D-xylo-hex-5-enose
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	4,6-dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-D-xylo-hex-5-enopyranose

RP6

RP6
Name:	5-acetamido-2,6-anhydro-3,5-dideoxy-3-prop-2-en-1-yl-D-glycero-D-galacto-non-2-enonic acid
Formula:	C14 H21 N O8
SMILES:	O=C(O)C=1OC(C(O)C(O)CO)C(NC(=O)C)C(O)C=1C/C=C
InChi:	InChI=1S/C14H21NO8/c1-3-4-7-10(19)9(15-6(2)17)13(11(20)8(18)5-16)23-12(7)14(21)22/h3,8-11,13,16,18-20H,1,4-5H2,2H3,(H,15,17)(H,21,22)/t8-,9-,10+,11-,13-/m1/s1
Synonyms:	5-(acetylamino)-2,6-anhydro-3,5-dideoxy-3-prop-2-en-1-yl-D-glycero-D-galacto-non-2-enonic acid
Definition date:	2010-10-27
Last modified:	2020-07-17
Identifier:	5-(acetylamino)-2,6-anhydro-3,5-dideoxy-3-prop-2-en-1-yl-D-glycero-D-galacto-non-2-enonic acid

6C7

6C7
Name:	S-(3-methylbut-2-en-1-yl) trihydrogen thiodiphosphate
Formula:	C5 H12 O6 P2 S
SMILES:	OP(O)(OP(O)(SCC=C(C)C)=O)=O
InChi:	InChI=1S/C5H12O6P2S/c1-5(2)3-4-14-13(9,10)11-12(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8)
Synonyms:	DMASPP
Definition date:	2016-03-09
Last modified:	2020-07-15
Release date:	2016-05-11
Identifier:	S-(3-methylbut-2-en-1-yl) trihydrogen thiodiphosphate

DST

DST
Name:	DIMETHYLALLYL S-THIOLODIPHOSPHATE
Formula:	C5 H12 O6 P2 S
SMILES:	OP(O)(=O)OP(O)(=O)SCC=C(C)C
InChi:	InChI=1S/C5H12O6P2S/c1-5(2)3-4-14-13(9,10)11-12(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8)
Synonyms:	DMASPP
Definition date:	2003-12-16
Last modified:	2020-07-15
Identifier:	S-(3-methylbut-2-en-1-yl) trihydrogen thiodiphosphate

MQW

MQW
Name:	(4~{R})-2-[(1~{R})-1-[[(2~{S})-2-[[(2~{S})-3-methyl-2-[[(4~{Z},6~{S},9~{S},12~{S})-2,8,11-tris(oxidanylidene)-6,9-di(propan-2-yl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadec-4-en-5-yl]amino]butanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-3-oxidanylidene-propyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
Formula:	C38 H54 N8 O9 S
SMILES:	CC(C)[CH]1NC(=O)[CH]2CCCN2C(=O)CN=C(N[CH](C(C)C)C(=O)N[CH](Cc3ccccc3)C(=O)N[CH](CC(O)=O)C4=N[CH](CS4)C(O)=O)[CH](NC1=O)C(C)C
InChi:	InChI=1S/C38H54N8O9S/c1-19(2)29-32(39-17-27(47)46-14-10-13-26(46)34(51)45-31(21(5)6)36(53)44-29)43-30(20(3)4)35(52)40-23(15-22-11-8-7-9-12-22)33(50)41-24(16-28(48)49)37-42-25(18-56-37)38(54)55/h7-9,11-12,19-21,23-26,29-31H,10,13-18H2,1-6H3,(H,39,43)(H,40,52)(H,41,50)(H,44,53)(H,45,51)(H,48,49)(H,54,55)/t23-,24+,25-,26-,29-,30-,31-/m0/s1
Definition date:	2019-10-21
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	(4~{R})-2-[(1~{R})-1-[[(2~{S})-2-[[(2~{S})-3-methyl-2-[[(4~{Z},6~{S},9~{S},12~{S})-2,8,11-tris(oxidanylidene)-6,9-di(propan-2-yl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadec-4-en-5-yl]amino]butanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-3-oxidanylidene-propyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid

V0V

V0V
Name:	(3S,5R,9R,19E)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,19-tetrahydroxy-8,8,20-trimethyl-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicos-19-en-21-oic acid 3,5-dioxide (non-preferred name)
Formula:	C25 H40 N7 O19 P3 S
SMILES:	c3n(C1OC(C(C1O)OP(O)(O)=O)COP(O)(=O)OP(O)(OCC(C)(C)C(O)C(=O)NCCC(=O)NCCS/C(O)=C(/C(O)=O)C)=O)c2ncnc(c2n3)N
InChi:	InChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-11,13,16-18,22,34-35,39H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/b24-12+/t13-,16-,17-,18+,22-/m1/s1
Definition date:	2020-06-11
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	(3S,5R,9R,19E)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,19-tetrahydroxy-8,8,20-trimethyl-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicos-19-en-21-oic acid 3,5-dioxide (non-preferred name)

QVM

QVM
Name:	(2E,4E,6E,8E,10E)-11-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-5,9-dimethylundeca-2,4,6,8,10-pentaenal
Formula:	C22 H30 O2
SMILES:	C1(C(=C(CC(O)C1)C)C=CC(C)=CC=CC(=CC=CC=O)C)(C)C
InChi:	InChI=1S/C22H30O2/c1-17(9-6-7-14-23)10-8-11-18(2)12-13-21-19(3)15-20(24)16-22(21,4)5/h6-14,20,24H,15-16H2,1-5H3/b7-6+,10-8+,13-12+,17-9+,18-11+/t20-/m1/s1
Definition date:	2019-12-31
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	(2E,4E,6E,8E,10E)-11-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-5,9-dimethylundeca-2,4,6,8,10-pentaenal

56B

56B
Name:	2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-7-(5-O-phosphono-beta-D-ribofuranosyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
Formula:	C17 H24 N5 O10 P
SMILES:	n2(cc(CNC1C(O)C(O)C=C1)c3c2N=C(N)NC3=O)C4C(O)C(O)C(O4)COP(=O)(O)O
InChi:	InChI=1S/C17H24N5O10P/c18-17-20-14-10(15(27)21-17)6(3-19-7-1-2-8(23)11(7)24)4-22(14)16-13(26)12(25)9(32-16)5-31-33(28,29)30/h1-2,4,7-9,11-13,16,19,23-26H,3,5H2,(H2,28,29,30)(H3,18,20,21,27)/t7-,8-,9+,11+,12+,13+,16+/m0/s1
Definition date:	2015-08-03
Last modified:	2020-06-27
Release date:	2016-09-28
Identifier:	2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-7-(5-O-phosphono-beta-D-ribofuranosyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one

WK1

WK1
Name:	(2S)-3-[(2S,4E)-4-[[(1R,2S,4aR,6S,8R,8aS)-2-[(E)-but-2-en-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-oxidanyl-methylidene]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]-2-methyl-2-oxidanyl-propanoic acid
Formula:	C25 H35 N O6
SMILES:	CC=C(C)[CH]1C=C[CH]2C[CH](C)C[CH](C)[CH]2[CH]1C(O)=C3C(=O)N[CH](C[C](C)(O)C(O)=O)C3=O
InChi:	InChI=1S/C25H35NO6/c1-6-13(3)16-8-7-15-10-12(2)9-14(4)18(15)19(16)22(28)20-21(27)17(26-23(20)29)11-25(5,32)24(30)31/h6-8,12,14-19,28,32H,9-11H2,1-5H3,(H,26,29)(H,30,31)/b13-6+,22-20+/t12-,14+,15-,16+,17-,18-,19-,25-/m0/s1
Definition date:	2019-07-03
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	(2~{S})-3-[(2~{S},4~{E})-4-[[(1~{R},2~{S},4~{a}~{R},6~{S},8~{R},8~{a}~{S})-2-[(~{E})-but-2-en-2-yl]-6,8-dimethyl-1,2,4~{a},5,6,7,8,8~{a}-octahydronaphthalen-1-yl]-oxidanyl-methylidene]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]-2-methyl-2-oxidanyl-propanoic acid

ODM

ODM
Name:	(3R)-3,7-dimethyloct-6-en-1-ol
Formula:	C10 H20 O
SMILES:	C/C(C)=C/CCC(C)CCO
InChi:	InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m1/s1
Synonyms:	citronellol
Definition date:	2019-06-21
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	(3R)-3,7-dimethyloct-6-en-1-ol

ODZ

ODZ
Name:	2-(4-hydroxyphenyl)-~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]ethanamide
Formula:	C14 H17 N O4
SMILES:	C[C](CC(O)=C)(NC(=O)Cc1ccc(O)cc1)C=O
InChi:	InChI=1S/C14H17NO4/c1-10(17)8-14(2,9-16)15-13(19)7-11-3-5-12(18)6-4-11/h3-6,9,17-18H,1,7-8H2,2H3,(H,15,19)/t14-/m0/s1
Definition date:	2020-02-28
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	2-(4-hydroxyphenyl)-~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]ethanamide

OEE

OEE
Name:	~{tert}-butyl ~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]carbamate
Formula:	C11 H19 N O4
SMILES:	CC(C)(C)OC(=O)N[C](C)(CC(O)=C)C=O
InChi:	InChI=1S/C11H19NO4/c1-8(14)6-11(5,7-13)12-9(15)16-10(2,3)4/h7,14H,1,6H2,2-5H3,(H,12,15)/t11-/m0/s1
Definition date:	2020-02-28
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	~{tert}-butyl ~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]carbamate

S1P

S1P
Name:	(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate
Formula:	C18 H38 N O5 P
SMILES:	O=P(OCC(N)C(O)/C=C/CCCCCCCCCCCCC)(O)O
InChi:	InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
Synonyms:	sphingosine 1-phosphate
Definition date:	2009-07-14
Last modified:	2020-06-17
Identifier:	(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate

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