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MHQ

MHQ
Name:	desmosterol
Formula:	C27 H44 O
SMILES:	C[CH](CCC=C(C)C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
InChi:	InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
Definition date:	2019-10-15
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	(3~{S},8~{S},9~{S},10~{R},13~{R},14~{S},17~{R})-10,13-dimethyl-17-[(2~{R})-6-methylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-ol

NO4

NO4
Name:	N-benzyl-2-(cyclohex-1-en-1-yl)ethan-1-amine
Formula:	C15 H21 N
SMILES:	c1ccc(cc1)CNCCC=2CCCCC=2
InChi:	InChI=1S/C15H21N/c1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15/h2,5-7,9-10,16H,1,3-4,8,11-13H2
Definition date:	2019-05-22
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	N-benzyl-2-(cyclohex-1-en-1-yl)ethan-1-amine

O9W

O9W
Name:	(~{E})-3-[4-chloranyl-2-[(5-methyl-1,2,3,4-tetrazol-2-yl)methyl]phenyl]-1-[(2~{R})-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]prop-2-en-1-one
Formula:	C24 H26 Cl F N6 O
SMILES:	C[CH]1CN(CCN1C(=O)C=Cc2ccc(Cl)cc2Cn3nnc(C)n3)Cc4ccc(F)cc4
InChi:	InChI=1S/C24H26ClFN6O/c1-17-14-30(15-19-3-8-23(26)9-4-19)11-12-31(17)24(33)10-6-20-5-7-22(25)13-21(20)16-32-28-18(2)27-29-32/h3-10,13,17H,11-12,14-16H2,1-2H3/b10-6+/t17-/m1/s1
Definition date:	2020-02-25
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	(~{E})-3-[4-chloranyl-2-[(5-methyl-1,2,3,4-tetrazol-2-yl)methyl]phenyl]-1-[(2~{R})-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]prop-2-en-1-one

WSS

WSS
Name:	tri(methyl)-[2-[[(2~{R})-2-[(~{Z})-octadec-9-enoyl]oxy-3-[(~{E})-1-oxidanylideneoctadec-9-enoxy]propoxy]-oxidanyl-phosphoryl]oxyethyl]azanium
Formula:	C44 H85 N O8 P
SMILES:	C(OP(=O)(O)OCC[N+](C)(C)C)C(COC(=O)CCCCCCC[C@H]=CCCCCCCCC)OC(CCCCCCC[C@H]=CCCCCCCCC)=O
InChi:	InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/p+1/b22-20+,23-21-/t42-/m1/s1
Definition date:	2020-11-04
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(4R,7R,18E)-4-hydroxy-N,N,N-trimethyl-7-{[(9Z)-octadec-9-enoyl]oxy}-4,10-dioxo-3,5,9-trioxa-4lambda~5~-phosphaheptacos-18-en-1-aminium

CD0

CD0
Name:	2-[(1R,2R,5S)-5-methyl-2-(prop-1-en-2-yl)cyclohexyl]-5-pentylbenzene-1,3-diol
Formula:	C21 H32 O2
SMILES:	c1(c(c(O)cc(c1)CCCCC)C2C(CCC(C2)C)/C(C)=C)O
InChi:	InChI=1S/C21H32O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h12-13,15,17-18,22-23H,2,5-11H2,1,3-4H3/t15-,17-,18+/m0/s1
Definition date:	2018-05-09
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	2-[(1R,2R,5S)-5-methyl-2-(prop-1-en-2-yl)cyclohexyl]-5-pentylbenzene-1,3-diol

UAV

UAV
Name:	(2R,3R)-2-hydroxy-3-methyl-2-[(2E,7S)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-2,3-dihydronaphthalene-1,4-dione
Formula:	C31 H48 O3
SMILES:	c12c(cccc1)C(=O)C(C[C@H]=C(CCCC(CCCC(CCCC(C)C)C)C)C)(C(C2=O)C)O
InChi:	InChI=1S/C31H48O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31(34)26(6)29(32)27-18-7-8-19-28(27)30(31)33/h7-8,18-20,22-24,26,34H,9-17,21H2,1-6H3/b25-20+/t23?,24-,26-,31+/m0/s1
Definition date:	2020-05-06
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(2R,3R)-2-hydroxy-3-methyl-2-[(2E,7S)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-2,3-dihydronaphthalene-1,4-dione

YO3

YO3
Name:	YO3-biotin
Formula:	C21 H19 N2 O
SMILES:	CN2C=CC(c1c2cccc1)=[C@H][C@H]=[C@H]c3[n+](c4c(o3)cccc4)C
InChi:	InChI=1S/C21H19N2O/c1-22-15-14-16(17-9-3-4-10-18(17)22)8-7-13-21-23(2)19-11-5-6-12-20(19)24-21/h3-15H,1-2H3/q+1
Synonyms:	3-methyl-2-[(1E,3E)-3-(1-methylquinolin-4(1H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium
Definition date:	2019-10-17
Last modified:	2020-10-16
Release date:	2020-10-21
Identifier:	3-methyl-2-[(1E,3E)-3-(1-methylquinolin-4(1H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium

TFJ

TFJ
Name:	(1E,3R,4R,5S,6R,9S,10S,12S)-12-[(4-aminobutanoyl)oxy]-1-[ethyl(formyl)amino]-4,10-dimethoxy-3,5,9,13-tetramethyltetradec-1-en-6-yl (2R)-oxolane-2-carboxylate
Formula:	C32 H58 N2 O8
SMILES:	N(C=O)([C@H]=CC(C(C(C)C(CCC(C(OC)CC(C(C)C)OC(=O)CCCN)C)OC(C1OCCC1)=O)OC)C)CC
InChi:	InChI=1S/C32H58N2O8/c1-9-34(21-35)18-16-24(5)31(39-8)25(6)26(42-32(37)27-12-11-19-40-27)15-14-23(4)29(38-7)20-28(22(2)3)41-30(36)13-10-17-33/h16,18,21-29,31H,9-15,17,19-20,33H2,1-8H3/b18-16+/t23-,24+,25-,26+,27+,28-,29-,31+/m0/s1
Definition date:	2020-03-20
Last modified:	2020-10-16
Release date:	2020-10-21
Identifier:	(1E,3R,4R,5S,6R,9S,10S,12S)-12-[(4-aminobutanoyl)oxy]-1-[ethyl(formyl)amino]-4,10-dimethoxy-3,5,9,13-tetramethyltetradec-1-en-6-yl (2R)-oxolane-2-carboxylate

LP0

LP0
Name:	(7Z)-7-(2-amino-1,3-thiazol-4-yl)-1,1,3-trihydroxy-10,10-dimethyl-1,6-dioxo-2,9-dioxa-5,8-diaza-1lambda~5~-phospha-3-boraundec-7-en-11-oic acid
Formula:	C10 H16 B N4 O9 P S
SMILES:	OP(O)(=O)OB(O)CNC(C(=N/OC(C)(C(O)=O)C)c1csc(n1)N)=O
InChi:	InChI=1S/C10H16BN4O9PS/c1-10(2,8(17)18)23-15-6(5-3-26-9(12)14-5)7(16)13-4-11(19)24-25(20,21)22/h3,19H,4H2,1-2H3,(H2,12,14)(H,13,16)(H,17,18)(H2,20,21,22)/b15-6-
Definition date:	2019-07-25
Last modified:	2020-10-16
Release date:	2020-10-21
Identifier:	(7Z)-7-(2-amino-1,3-thiazol-4-yl)-1,1,3-trihydroxy-10,10-dimethyl-1,6-dioxo-2,9-dioxa-5,8-diaza-1lambda~5~-phospha-3-boraundec-7-en-11-oic acid

970

970
Name:	(2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one
Formula:	C23 H22 O6
SMILES:	c3c4C(=O)C5c1c(cc(c(OC)c1)OC)OCC5Oc4c2CC(C(C)=C)Oc2c3
InChi:	InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1
Definition date:	2018-01-26
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	(2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one

QBJ

QBJ
Name:	4-{5-[(1Z)-3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}prop-1-en-1-yl]-6-methoxy-1-benzothiophen-2-yl}-4-oxobutanoic acid
Formula:	C29 H26 O9 S2
SMILES:	OC(CCC(=O)c1sc2c(c1)cc(c(c2)OC)OC[C@H]=[C@H]c4cc3cc(C(CCC(=O)O)=O)sc3cc4OC)=O
InChi:	InChI=1S/C29H26O9S2/c1-36-21-14-24-17(12-26(39-24)19(30)5-7-28(32)33)10-16(21)4-3-9-38-23-11-18-13-27(20(31)6-8-29(34)35)40-25(18)15-22(23)37-2/h3-4,10-15H,5-9H2,1-2H3,(H,32,33)(H,34,35)/b4-3-
Definition date:	2019-10-10
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	4-{5-[(1Z)-3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}prop-1-en-1-yl]-6-methoxy-1-benzothiophen-2-yl}-4-oxobutanoic acid

PKP

PKP
Name:	4'-[(6-chloro-1,3-benzothiazol-2-yl)oxy]-6-hydroxy-4,4-dimethyl-4,5-dihydro[1,1'-biphenyl]-2(3H)-one
Formula:	C21 H18 Cl N O3 S
SMILES:	C1C(C)(C)CC(=C(C1=O)c2ccc(cc2)Oc3nc4c(s3)cc(cc4)Cl)O
InChi:	InChI=1S/C21H18ClNO3S/c1-21(2)10-16(24)19(17(25)11-21)12-3-6-14(7-4-12)26-20-23-15-8-5-13(22)9-18(15)27-20/h3-9,24H,10-11H2,1-2H3
Definition date:	2019-08-14
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	4'-[(6-chloro-1,3-benzothiazol-2-yl)oxy]-6-hydroxy-4,4-dimethyl-4,5-dihydro[1,1'-biphenyl]-2(3H)-one

DL9

DL9
Name:	(E)-4-(1-(4-(1-cyclopropylpiperidin-4-yl)phenyl)-5-hydroxy-2-phenylpent-1-en-1-yl)phenol
Formula:	C31 H35 N O2
SMILES:	OCCCC(c1ccccc1)=C(c2ccc(O)cc2)c3ccc(cc3)C4CCN(CC4)C5CC5
InChi:	InChI=1S/C31H35NO2/c33-22-4-7-30(25-5-2-1-3-6-25)31(27-12-16-29(34)17-13-27)26-10-8-23(9-11-26)24-18-20-32(21-19-24)28-14-15-28/h1-3,5-6,8-13,16-17,24,28,33-34H,4,7,14-15,18-22H2/b31-30+
Definition date:	2019-08-13
Last modified:	2020-08-07
Release date:	2020-08-12
Identifier:	4-[(~{E})-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-oxidanyl-2-phenyl-pent-1-enyl]phenol

2FO

2FO
Name:	(2Z,3Z)-2-[(2Z)-3-hydroxyprop-2-en-1-ylidene]-3-iminobutanedioic acid
Formula:	C7 H7 N O5
SMILES:	O=C(O)C(=[N@H])/C(=C/C=CO)/C(=O)O
InChi:	InChI=1S/C7H7NO5/c8-5(7(12)13)4(6(10)11)2-1-3-9/h1-3,8-9H,(H,10,11)(H,12,13)/b3-1?,4-2-,8-5?
Definition date:	2013-10-09
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	(2Z,3Z)-2-[(2Z)-3-hydroxyprop-2-en-1-ylidene]-3-iminobutanedioic acid

QV4

QV4
Name:	4,6-dideoxy-4-{[(1S,4R,5R,6S)-4-{[alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose
Formula:	C31 H53 N O23
SMILES:	O(C3C(OC(OC2C(=CC(NC1C(OC(O)C(O)C1O)C)C(O)C2O)CO)C(O)C3O)CO)C5OC(C(OC4OC(CO)C(O)C(O)C4O)C(O)C5O)CO
InChi:	InChI=1S/C31H53NO23/c1-7-13(16(39)21(44)28(48)49-7)32-9-2-8(3-33)25(18(41)14(9)37)53-30-23(46)19(42)27(11(5-35)51-30)55-31-24(47)20(43)26(12(6-36)52-31)54-29-22(45)17(40)15(38)10(4-34)50-29/h2,7,9-48H,3-6H2,1H3/t7-,9+,10-,11-,12-,13-,14+,15-,16+,17+,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29-,30-,31-/m1/s1
Definition date:	2007-09-04
Last modified:	2020-07-23
Identifier:	4,6-dideoxy-4-{[(1S,4R,5R,6S)-4-{[alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose

G8Z

G8Z
Name:	prop-2-en-1-yl 4-O-methyl-alpha-D-mannopyranoside
Formula:	C10 H18 O6
SMILES:	CO[CH]1[CH](O)[CH](O)[CH](OCC=C)O[CH]1CO
InChi:	InChI=1S/C10H18O6/c1-3-4-15-10-8(13)7(12)9(14-2)6(5-11)16-10/h3,6-13H,1,4-5H2,2H3/t6-,7-,8+,9-,10+/m1/s1
Synonyms:	Allyl-Alpha-4-Methyl-Mannoside
Definition date:	2016-01-04
Last modified:	2020-07-17
Release date:	2017-03-29
Identifier:	(2S,3S,4R,5S,6R)-6-(hydroxymethyl)-5-methoxy-2-prop-2-enoxy-oxane-3,4-diol

TVS

TVS
Name:	prop-2-en-1-yl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside
Formula:	C11 H19 N O6
SMILES:	CC(=O)NC1C(OC[C@H]=C)OC(CO)C(C1O)O
InChi:	InChI=1S/C11H19NO6/c1-3-4-17-11-8(12-6(2)14)10(16)9(15)7(5-13)18-11/h3,7-11,13,15-16H,1,4-5H2,2H3,(H,12,14)/t7-,8-,9-,10-,11-/m1/s1
Definition date:	2020-04-01
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	prop-2-en-1-yl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside

AC1

AC1
Name:	4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose
Formula:	C13 H23 N O8
SMILES:	OC2C(NC1C=C(CO)C(O)C(O)C1O)C(OC(O)C2O)C
InChi:	InChI=1S/C13H23NO8/c1-4-7(10(18)12(20)13(21)22-4)14-6-2-5(3-15)8(16)11(19)9(6)17/h2,4,6-21H,3H2,1H3/t4-,6+,7-,8-,9+,10+,11+,12-,13+/m1/s1
Synonyms:	6-METHYL-5-(4,5,6-TRIHYDROXY-3-HYDROXYMETHYL-CYCLOHEX-2-ENYLAMINO)-TETRAHYDRO-PYRAN-2,3,4-TRIOL
Definition date:	1999-09-21
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-glucopyranose

ACR

ACR
Name:	ALPHA-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:	1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-TRIHYDROXYCYCLOHEX-5,6-ENYL)AMINO)FRUCTOSE
Definition date:	1999-07-08
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)-alpha-D-glucopyranose

AF1

AF1
Name:	4,6-dideoxy-4-{[(1S,4S,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-beta-D-glucopyranose
Formula:	C13 H23 N O8
SMILES:	OC2C(NC1C=C(CO)C(O)C(O)C1O)C(OC(O)C2O)C
InChi:	InChI=1S/C13H23NO8/c1-4-7(10(18)12(20)13(21)22-4)14-6-2-5(3-15)8(16)11(19)9(6)17/h2,4,6-21H,3H2,1H3/t4-,6+,7-,8?,9+,10+,11+,12-,13-/m1/s1
Synonyms:	4,6-dideoxy-4-{[(1S,4S,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-beta-D-glucose
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	4,6-dideoxy-4-{[(1S,4S,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-beta-D-glucopyranose

CNP

CNP
Name:	2-propenyl-N-acetyl-neuraminic acid
Formula:	C14 H23 N O8
SMILES:	O=C(O)C1(OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1)CC=C
InChi:	InChI=1S/C14H23NO8/c1-3-4-14(13(21)22)5-8(18)10(15-7(2)17)12(23-14)11(20)9(19)6-16/h3,8-12,16,18-20H,1,4-6H2,2H3,(H,15,17)(H,21,22)/t8-,9+,10+,11+,12+,14+/m0/s1
Synonyms:	2-PROPENYL-N-ACETYL-NEURAMIC ACID
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	5-(acetylamino)-2,6-anhydro-3,5-dideoxy-2-prop-2-en-1-yl-D-erythro-L-manno-nononic acid

KME

KME
Name:	(1E)-prop-1-en-1-yl 3-deoxy-7-O-methyl-alpha-D-manno-oct-2-ulopyranosidonic acid
Formula:	C12 H20 O8
SMILES:	O=C(O)C1(O/C=C/C)OC(C(O)C(O)C1)C(OC)CO
InChi:	InChI=1S/C12H20O8/c1-3-4-19-12(11(16)17)5-7(14)9(15)10(20-12)8(6-13)18-2/h3-4,7-10,13-15H,5-6H2,1-2H3,(H,16,17)/b4-3+/t7-,8-,9-,10-,12-/m1/s1
Synonyms:	(1E)-prop-1-en-1-yl 3-deoxy-7-O-methyl-alpha-D-manno-oct-2-ulosidonic acid
Definition date:	2009-08-06
Last modified:	2020-07-17
Identifier:	(1E)-prop-1-en-1-yl 3-deoxy-7-O-methyl-alpha-D-manno-oct-2-ulopyranosidonic acid

KO2

KO2
Name:	prop-2-en-1-yl D-glycero-alpha-D-talo-oct-2-ulopyranosidonic acid
Formula:	C11 H18 O9
SMILES:	O=C(O)C1(OCC=C)OC(C(O)CO)C(O)C(O)C1O
InChi:	InChI=1S/C11H18O9/c1-2-3-19-11(10(17)18)9(16)7(15)6(14)8(20-11)5(13)4-12/h2,5-9,12-16H,1,3-4H2,(H,17,18)/t5-,6-,7+,8-,9+,11-/m1/s1
Synonyms:	prop-2-en-1-yl D-glycero-alpha-D-talo-oct-2-ulosidonic acid
Definition date:	2008-01-18
Last modified:	2020-07-17
Identifier:	prop-2-en-1-yl D-glycero-alpha-D-talo-oct-2-ulopyranosidonic acid

KTU

KTU
Name:	prop-2-en-1-yl 3,5-dideoxy-alpha-D-threo-oct-5-en-2-ulopyranosidonic acid
Formula:	C11 H16 O7
SMILES:	C=CCOC1(C(O)=O)OC(C(CO)O)=CC(C1)O
InChi:	InChI=1S/C11H16O7/c1-2-3-17-11(10(15)16)5-7(13)4-9(18-11)8(14)6-12/h2,4,7-8,12-14H,1,3,5-6H2,(H,15,16)/t7-,8+,11+/m0/s1
Synonyms:	prop-2-en-1-yl 3,5-dideoxy-alpha-D-threo-oct-5-en-2-ulosidonic acid
Definition date:	2012-10-12
Last modified:	2020-07-17
Release date:	2013-01-04
Identifier:	prop-2-en-1-yl 3,5-dideoxy-alpha-D-threo-oct-5-en-2-ulopyranosidonic acid

0LP

0LP
Name:	5-acetamido-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-phenylprop-2-en-1-yl]-D-glycero-L-altro-non-2-enonic acid
Formula:	C20 H25 N O8
SMILES:	CC(=O)NC1C(O)C(=C(OC1C(O)C(O)CO)C(O)=O)C[C@H]=Cc2ccccc2
InChi:	InChI=1S/C20H25NO8/c1-11(23)21-15-16(25)13(9-5-8-12-6-3-2-4-7-12)18(20(27)28)29-19(15)17(26)14(24)10-22/h2-8,14-17,19,22,24-26H,9-10H2,1H3,(H,21,23)(H,27,28)/b8-5+/t14-,15-,16+,17+,19-/m1/s1
Synonyms:	5-(acetylamino)-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-phenylprop-2-en-1-yl]-D-glycero-L-altro-non-2-enonic acid
Definition date:	2012-08-16
Last modified:	2020-07-17
Release date:	2012-09-21
Identifier:	5-(acetylamino)-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-phenylprop-2-en-1-yl]-D-glycero-L-altro-non-2-enonic acid

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