Compound Search
化合物数据库
基于 PubChem CID 索引,支持名称 / 同义词 / CAS / SMILES 检索。
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O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1 -
(2S,4S,5R,6R)-2-{[(1S,2R)-1-[(2R,3R,4S,6S)-6-carboxy-6-{[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy}oxan-4-yl]oxy}-3-acetamido-4-hydroxyoxan-2-yl]-1,3-dihydroxypropan-2-yl]oxy}-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid CAS 38598-36-6 PubChem CID 101873157
CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O[C@H](CO)[C@@H](O)[C@@H]2O[C@@](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]([C@H](O)[C@@H](O)C=O)[C@H](O)CO)[C@@H]3O)(C(=O)O)C[C@H](O)[C@H]2NC(C)=O)(C(=O)O)C[C@@H]1O -
(2S,3R,4S,5R,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(pent-4-yn-1-yloxy)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol PubChem CID 102321667
C#CCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O -
D-Glucopyranosylamine, N-(3,5-dimethyltricyclo[3.3.1.13,7]dec-1-yl)-4-O-beta-D-galactopyranosyl- CAS 1159637-28-1 PubChem CID 172677302
CC12CC3CC(C)(C1)CC(NC1O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]1O)(C3)C2 -
(2r,3r,4r,5r)-n-(4-ethenylbenzyl)-2,3,6-trihydroxy-5-methyl-4-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}hexanamide(non-preferred name) CAS 96910-25-7 PubChem CID 126094
C=Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](C)CO)cc1 -
(2R,3R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hexanal CAS 63-42-3 PubChem CID 493593
O=C[C@H](O)[C@@H](O)C(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO -
Cc1c(-c2ccccc2)sc2nc[nH]c(=O)c12 -
2-amino-6-[[3,5,6-trihydroxy-2-oxo-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]amino]hexanoic acid CAS 34326-63-1 PubChem CID 3082392
NC(CCCCNCC(=O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO)C(=O)O -
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(5-methyl-2-propan-2-yl-2H-furan-5-yl)oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol PubChem CID 5319388
CC(C)C1C=CC(C)(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)O1 -
(2S,3R,4S,5R,6R)-2-{[(2R,3S,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol PubChem CID 10663864
OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)CO[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O -
CC(C)(C)C(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)O[C@@H]2COC(=O)C(C)(C)C)[C@H](O)[C@@H](OC(=O)C(C)(C)C)[C@H]1O -
(2R,3S,4S,5R,6S)-2-(Acetoxymethyl)-6-(((2R,3R,4S,5R)-4,5-diacetoxy-2-(acetoxymethyl)-6-bromotetrahydro-2h-pyran-3-yl)oxy)tetrahydro-2h-pyran-3,4,5-triyl triacetate CAS 5160-10-1 PubChem CID 11735133
CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)C(Br)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O -
CN(C)c1ccc(N=Nc2ccc(S(=O)(=O)NCCC/C=N/O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)cc2)cc1 -
CN(C)c1cccc2c(S(=O)(=O)NCCC/C=N/O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)cccc12 -
GUBGYTABKSRVRQ-SDWOOCBUSA-N PubChem CID 42552662
OC[C@@H]1O[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)O[C@H]2CO)[C@@H](O)[C@H](O)[C@@H]1O -
3-Ethyl 5-methyl 4-(2-chlorophenyl)-2-((2-(((3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)amino)ethoxy)methyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate CAS 2173291-00-2 PubChem CID 71313382
CCOC(=O)C1=C(COCCNC2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)NC(C)=C(C(=O)OC)C1c1ccccc1Cl -
(2R,4S,5R,6R)-5-ACETAMIDO-4-HYDROXY-2-{[(2R,3S,4R,5R,6S)-4,5,6-TRIHYDROXY-3-{[(2S,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-2-YL]METHOXY}-6-[(1R,2R)-1,2,3-TRIHYDROXYPROPYL]OXANE-2-CARBOXYLIC ACID CAS 56144-12-8 PubChem CID 90473535
CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)(C(=O)O)C[C@@H]1O -
D-Glucose, 4-O-[2,3,4,6-tetrakis-O-(trimethylsilyl)-.beta.-D-galactopyranosyl]-2,3,5,6-tetrakis-O-(trimethylsilyl)- PubChem CID 91733368
C[Si](C)(C)OCC(O[Si](C)(C)C)C(OC1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)C(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C -
(2R,4S,5R,6R)-5-acetamido-4-hydroxy-6-[(1R)-1,2,3-trihydroxypropyl]-2-[[(3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxyoxan-2-yl]methoxy]oxane-2-carboxylic acid CAS 157574-76-0 PubChem CID 92043641
CC(=O)N[C@H]1[C@H]([C@H](O)C(O)CO)O[C@@](OCC2O[C@@H](OC([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@H](O)[C@@H](O)[C@H]2O)(C(=O)O)C[C@@H]1O -
[(2R,3R,4S,5R,6S)-5-(acetyloxy)-6-{[(2R,3R,4S,5R,6S)-4,5-bis(acetyloxy)-2-[(acetyloxy)methyl]-6-(4-nitrophenoxy)oxan-3-yl]oxy}-3,4-dihydroxyoxan-2-yl]methyl acetate PubChem CID 100916109
CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](Oc3ccc([N+](=O)[O-])cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](O)[C@H]1O