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QIF

QIF
Name:	1-deoxy-7-O-phosphono-alpha-D-gluco-hept-2-ulopyranose
Formula:	C7 H15 O9 P
SMILES:	C1(C(C(O)C(C(COP(=O)(O)O)O1)O)O)(O)C
InChi:	InChI=1S/C7H15O9P/c1-7(11)6(10)5(9)4(8)3(16-7)2-15-17(12,13)14/h3-6,8-11H,2H2,1H3,(H2,12,13,14)/t3-,4-,5+,6-,7+/m1/s1
Synonyms:	1-deoxy-7-O-phosphono-alpha-D-gluco-hept-2-ulose
Definition date:	2018-11-09
Last modified:	2020-07-17
Release date:	2019-05-01
Identifier:	1-deoxy-7-O-phosphono-alpha-D-gluco-hept-2-ulopyranose

RP5

RP5
Name:	5-O-phosphono-beta-D-ribofuranose
Formula:	C5 H11 O8 P
SMILES:	O=P(O)(O)OCC1OC(O)C(O)C1O
InChi:	InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1
Synonyms:	[(2R,3S,4S,5R)-3,4,5-TRIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN PHOSPHATE
Definition date:	2003-04-30
Last modified:	2020-07-17
Identifier:	5-O-phosphono-beta-D-ribofuranose

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

RAO

RAO
Name:	methyl 6-deoxy-alpha-L-rhamnopyranoside
Formula:	C7 H14 O5
SMILES:	OC1C(O)C(O)C(OC1OC)C
InChi:	InChI=1S/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3/t3-,4-,5+,6+,7+/m0/s1
Synonyms:	1-O-METHYL-ALPHA-RHAMNOSE
Definition date:	2002-12-11
Last modified:	2020-07-17
Identifier:	methyl 6-deoxy-alpha-L-mannopyranoside

4R1

4R1
Name:	2-amino-2-deoxy-6-O-phosphono-beta-D-glucopyranose
Formula:	C6 H14 N O8 P
SMILES:	C1(C(C(O)C(COP(O)(O)=O)OC1O)O)N
InChi:	InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6-/m1/s1
Synonyms:	beta-glucosamine-6-phosphate
Definition date:	2015-05-13
Last modified:	2020-07-17
Release date:	2016-06-08
Identifier:	2-amino-2-deoxy-6-O-phosphono-beta-D-glucopyranose

TCG

TCG
Name:	2-deoxy-2-(trimethylammonio)-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acety lamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose
Formula:	C33 H59 N4 O20
SMILES:	O=C(NC4C(O)C(OC3OC(CO)C(OC2OC(C(OC1OC(C(O)C(O)C1[N+](C)(C)C)CO)C(O)C2NC(=O)C)CO)C(O)C3NC(=O)C)C(OC4O)CO)C
InChi:	InChI=1S/C33H58N4O20/c1-11(42)34-18-23(46)27(15(8-39)51-30(18)50)55-31-19(35-12(2)43)24(47)28(16(9-40)53-31)56-32-20(36-13(3)44)25(48)29(17(10-41)54-32)57-33-21(37(4,5)6)26(49)22(45)14(7-38)52-33/h14-33,38-41,45-50H,7-10H2,1-6H3,(H2-,34,35,36,42,43,44)/p+1/t14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+/m1/s1
Synonyms:	TMG-chitotriomycin
Definition date:	2012-06-14
Last modified:	2020-07-17
Release date:	2013-01-11
Identifier:	2-deoxy-2-(trimethylammonio)-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose

TQY

TQY
Name:	6-O-octanoyl-alpha-D-glucopyranose
Formula:	C14 H26 O7
SMILES:	C(=O)(CCCCCCC)OCC1C(C(C(C(O1)O)O)O)O
InChi:	InChI=1S/C14H26O7/c1-2-3-4-5-6-7-10(15)20-8-9-11(16)12(17)13(18)14(19)21-9/h9,11-14,16-19H,2-8H2,1H3/t9-,11-,12+,13-,14+/m1/s1
Definition date:	2020-03-30
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	6-O-octanoyl-alpha-D-glucopyranose

PAV

PAV
Name:	(2R,4S)-2-methyl-2,3,3,4-tetrahydroxytetrahydrofuran
Formula:	C5 H10 O5
SMILES:	OC1(O)C(O)(OCC1O)C
InChi:	InChI=1S/C5H10O5/c1-4(7)5(8,9)3(6)2-10-4/h3,6-9H,2H2,1H3/t3-,4+/m0/s1
Definition date:	2004-06-16
Last modified:	2020-07-17
Identifier:	(2R,4S)-2-methyldihydrofuran-2,3,3,4(2H)-tetrol (non-preferred name)

PPC

PPC
Name:	1-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-5-O-phosphono-alpha-D-ribofuranose
Formula:	C6 H15 O13 P3
SMILES:	O=P(OC1OC(C(O)C1O)COP(=O)(O)O)(O)CP(=O)(O)O
InChi:	InChI=1S/C6H15O13P3/c7-4-3(1-17-22(14,15)16)18-6(5(4)8)19-21(12,13)2-20(9,10)11/h3-8H,1-2H2,(H,12,13)(H2,9,10,11)(H2,14,15,16)/t3-,4-,5-,6-/m1/s1
Synonyms:	5-PHOSPHORIBOSYL-1-(BETA-METHYLENE) PYROPHOSPHATE
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	1-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-5-O-phosphono-alpha-D-ribofuranose

TRE

TRE
Name:	TREHALOSE
Formula:	C12 H22 O11
SMILES:	O2C(OC1OC(C(O)C(O)C1O)CO)C(O)C(O)C(O)C2CO
InChi:	InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1
Synonyms:	ALPHA-D-GLUCOPYRANOSYL-ALPHA-D-GLUCOPYRANOSIDE
Definition date:	2000-04-19
Last modified:	2020-07-17
Identifier:	alpha-D-glucopyranosyl alpha-D-glucopyranoside

4RS

4RS
Name:	trehalose mono-butyrate
Formula:	C16 H28 O12
SMILES:	C2(OC1C(C(O)C(O)C(COC(=O)CCC)O1)O)C(O)C(C(C(O2)CO)O)O
InChi:	InChI=1S/C16H28O12/c1-2-3-8(18)25-5-7-10(20)12(22)14(24)16(27-7)28-15-13(23)11(21)9(19)6(4-17)26-15/h6-7,9-17,19-24H,2-5H2,1H3/t6-,7-,9-,10-,11+,12+,13-,14-,15-,16-/m1/s1
Synonyms:	6-O-butanoyl-alpha-D-glucopyranosyl alpha-D-glucopyranoside
Definition date:	2015-05-15
Last modified:	2020-07-17
Release date:	2016-05-25
Identifier:	6-O-butanoyl-alpha-D-glucopyranosyl alpha-D-glucopyranoside

YYB

YYB
Name:	1,5-anhydro-3-O-methyl-2,6-di-O-sulfo-D-glucitol
Formula:	C7 H14 O11 S2
SMILES:	O=S(=O)(O)OCC1OCC(OS(=O)(=O)O)C(OC)C1O
InChi:	InChI=1S/C7H14O11S2/c1-15-7-5(18-20(12,13)14)2-16-4(6(7)8)3-17-19(9,10)11/h4-8H,2-3H2,1H3,(H,9,10,11)(H,12,13,14)/t4-,5+,6-,7-/m1/s1
Definition date:	2012-12-18
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	1,5-anhydro-3-O-methyl-2,6-di-O-sulfo-D-glucitol

YYH

YYH
Name:	7-deoxy-L-glycero-alpha-D-manno-heptopyranose
Formula:	C7 H14 O6
SMILES:	OC1C(O)C(OC(O)C1O)C(O)C
InChi:	InChI=1S/C7H14O6/c1-2(8)6-4(10)3(9)5(11)7(12)13-6/h2-12H,1H3/t2-,3-,4-,5-,6+,7-/m0/s1
Definition date:	2012-12-17
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	7-deoxy-L-glycero-alpha-D-manno-heptopyranose

TDG

TDG
Name:	THIODIGALACTOSIDE
Formula:	C12 H22 O10 S
SMILES:	O2C(SC1OC(C(O)C(O)C1O)CO)C(O)C(O)C(O)C2CO
InChi:	InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/m1/s1
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	beta-D-galactopyranosyl 1-thio-beta-D-galactopyranoside

YYJ

YYJ
Name:	1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose
Formula:	C6 H12 O18 S4
SMILES:	O=S(=O)(O)OCC1OC(O)(COS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O
InChi:	InChI=1S/C6H12O18S4/c7-6(2-21-26(11,12)13)5(24-28(17,18)19)4(23-27(14,15)16)3(22-6)1-20-25(8,9)10/h3-5,7H,1-2H2,(H,8,9,10)(H,11,12,13)(H,14,15,16)(H,17,18,19)/t3-,4-,5+,6-/m1/s1
Definition date:	2012-12-17
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose

YYK

YYK
Name:	beta-D-quinovopyranose
Formula:	C6 H12 O5
SMILES:	OC1C(O)C(OC(O)C1O)C
InChi:	InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5-,6-/m1/s1
Synonyms:	beta-D-quinovoose
Definition date:	2012-12-18
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	6-deoxy-beta-D-glucopyranose

YKR

YKR
Name:	2-amino-4-O-benzyl-2-deoxy-alpha-D-glucopyranose
Formula:	C13 H19 N O5
SMILES:	OC2C(OCc1ccccc1)C(OC(O)C2N)CO
InChi:	InChI=1S/C13H19NO5/c14-10-11(16)12(9(6-15)19-13(10)17)18-7-8-4-2-1-3-5-8/h1-5,9-13,15-17H,6-7,14H2/t9-,10-,11-,12-,13+/m1/s1
Synonyms:	4-benzyl-alpha-D-glucosamine
Definition date:	2012-07-31
Last modified:	2020-07-17
Release date:	2013-08-07
Identifier:	2-amino-4-O-benzyl-2-deoxy-alpha-D-glucopyranose

YYM

YYM
Name:	alpha-D-ribopyranose
Formula:	C5 H10 O5
SMILES:	OC1C(O)COC(O)C1O
InChi:	InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4-,5+/m1/s1
Synonyms:	alpha-D-ribose
Definition date:	2012-12-17
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	alpha-D-ribopyranose

TRV

TRV
Name:	6-O-octanoyl-beta-D-fructofuranose
Formula:	C14 H26 O7
SMILES:	OC1(CO)C(O)C(O)C(COC(=O)CCCCCCC)O1
InChi:	InChI=1S/C14H26O7/c1-2-3-4-5-6-7-11(16)20-8-10-12(17)13(18)14(19,9-15)21-10/h10,12-13,15,17-19H,2-9H2,1H3/t10-,12-,13+,14-/m1/s1
Definition date:	2020-03-30
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	6-O-octanoyl-beta-D-fructofuranose

YZ0

YZ0
Name:	methyl beta-D-mannopyranoside
Formula:	C7 H14 O6
SMILES:	OC1C(O)C(O)C(OC1OC)CO
InChi:	InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7-/m1/s1
Definition date:	2012-12-18
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	methyl beta-D-mannopyranoside

ZMR

ZMR
Name:	ZANAMIVIR
Formula:	C12 H20 N4 O7
SMILES:	C(=O)(O)C1=CC(C(NC(=O)C)C(O1)C(O)C(O)CO)NC(=N)N
InChi:	InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1
Synonyms:	4-GUANIDINO-2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-D-glycero-D-galacto-non-2-enonic acid

4SG

4SG
Name:	4-thio-alpha-D-glucopyranose
Formula:	C6 H12 O5 S
SMILES:	OC1C(S)C(OC(O)C1O)CO
InChi:	InChI=1S/C6H12O5S/c7-1-2-5(12)3(8)4(9)6(10)11-2/h2-10,12H,1H2/t2-,3-,4-,5-,6+/m1/s1
Definition date:	2012-08-08
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	4-thio-alpha-D-glucopyranose

TS8

TS8
Name:	2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranose
Formula:	C14 H20 O9 S
SMILES:	O=C(OCC1OC(S)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)C
InChi:	InChI=1S/C14H20O9S/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18/h10-14,24H,5H2,1-4H3/t10-,11-,12+,13-,14+/m1/s1
Synonyms:	3,4,5-TRIACETYLOXY-6-(ACETYLOXYMETHYL)OXANE-2-THIOL
Definition date:	2011-02-24
Last modified:	2020-07-17
Identifier:	2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranose

RCD

RCD
Name:	gamma-cyclodextrin
Formula:	C48 H80 O40
SMILES:	OC2C(O)C1OC9OC(CO)C(OC8OC(CO)C(OC7OC(CO)C(OC6OC(CO)C(OC5OC(C(OC4OC(CO)C(OC3OC(CO)C(OC2OC1CO)C(O)C3O)C(O)C4O)C(O)C5O)CO)C(O)C6O)C(O)C7O)C(O)C8O)C(O)C9O
InChi:	InChI=1S/C48H80O40/c49-1-9-33-17(57)25(65)41(73-9)82-34-10(2-50)75-43(27(67)19(34)59)84-36-12(4-52)77-45(29(69)21(36)61)86-38-14(6-54)79-47(31(71)23(38)63)88-40-16(8-56)80-48(32(72)24(40)64)87-39-15(7-55)78-46(30(70)22(39)62)85-37-13(5-53)76-44(28(68)20(37)60)83-35-11(3-51)74-42(81-33)26(66)18(35)58/h9-72H,1-8H2/t9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m1/s1
Synonyms:	cyclo-octa-amylose
Definition date:	2011-02-11
Last modified:	2020-07-17
Release date:	2015-12-16
Identifier:	(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,38R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56R)-5,10,15,20,25,30,35,40-octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~.2~28,31~.2~33,36~]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol (non-preferred name)

Z0F

Z0F
Name:	alpha-L-idopyranose
Formula:	C6 H12 O6
SMILES:	OC1C(O)C(OC(O)C1O)CO
InChi:	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5+,6+/m0/s1
Synonyms:	alpha-L-idose
Definition date:	2012-12-18
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	alpha-L-idopyranose

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