小分子和化合物库
选项
-
水飞蓟素CAS号: 65666-07-1 Compound CID : 5213分子式: C25H22O10 分子量: 482.44IUPAC Name: 3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-oneSMILES: COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)OInChIKey: SEBFKMXJBCUCAI-UHFFFAOYSA-NInChI: 1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3
-
ATP-γ-S,激酶底物CAS号: 93839-89-5分子式: C10H12Li4N5O12P3S 分子量: 546.98IUPAC Name: tetralithium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] dioxidophosphinothioyl phosphateSMILES: [Li+].[Li+].[Li+].[Li+].C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])OP(=S)([O-])[O-])O)O)NInChIKey: DWQFDOIBOYDYKH-KWIZKVQNSA-JInChI: See more
-
HeliquinomycinCAS号: 178182-49-5分子式: C33H30O17 分子量: 698.58IUPAC Name: methyl (2R,3R,3'R)-3,4',9',10-tetrahydroxy-3'-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-7'-methoxy-5',8',9-trioxospiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[f][1]benzofuran]-7-carboxylateSMILES: CC1C(C(CC(O1)OC2C3=C(C4=C(C(=C3OC25C(CC6=C(O5)C(=C7C(=C6)C=C(OC7=O)C(=O)OC)O)O)O)C(=O)C(=CC4=O)OC)O)OC)OInChIKey: MLFZQFHGXSVTGX-VJANPNJTSA-NInChI: See more
-
-
分支酸CAS号: 617-12-9分子式: C10H10O6 分子量: 226.18IUPAC Name: (3R,4R)-3-(1-carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acidSMILES: C=C(C(=O)O)OC1C=C(C=CC1O)C(=O)OInChIKey: WTFXTQVDAKGDEY-HTQZYQBOSA-NInChI: 1S/C10H10O6/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/t7-,8-/m1/s1
-
-
水苏糖 水合物CAS号: 54261-98-2 EC号: 207-427-3分子式: C24H42O21·xH2O 分子量: 666.58(as Anhydrous)IUPAC Name: 2-[[6-[[6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triolSMILES: O.OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@H](O[C@]4(CO)O[C@H](CO)[C@@H](O)[C@@H]4O)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1OInChIKey: UQZIYBXSHAGNOE-UHFFFAOYSA-NInChI: 1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-11(29)15(33)18(36)22(42-8)40-4-9-12(30)16(34)19(37)23(43-9)45-24(5-27)20(38)13(31)7(2-26)44-24/h6-23,25-38H,1-5H2
-
柠檬酸-1,5-¹³C₂CAS号: 302912-06-7分子式: HOC(CO2H)(CH213CO2H)2 分子量: 194.11IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acidSMILES: C(C(=O)O)C(CC(=O)O)(C(=O)O)OInChIKey: KRKNYBCHXYNGOX-CQDYUVAPSA-NInChI: 1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/i3+1,4+1
-
橙皮苷分子式: C28H34O15 分子量: 610.56IUPAC Name: (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-oneSMILES: COc1ccc(cc1O)[C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2InChIKey: QUQPHWDTPGMPEX-QJBIFVCTSA-NInChI: See more
-
肉豆蔻酰辅酶A锂盐CAS号: 187100-75-0 Compound CID : 118855984分子式: C35H58Li4N7O17P3S 分子量: 1001.7IUPAC Name: See moreSMILES: [Li+].[Li+].[Li+].[Li+].CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])OInChIKey: DMIGQCYHWKIMOK-RUVUOEETSA-JInChI: See more
-
芥子醇分子式: HOC6H2(OCH3)2CH=CHCH2OH 分子量: 210.23IUPAC Name: 4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenolSMILES: COC1=CC(=CC(=C1O)OC)C=CCOInChIKey: LZFOPEXOUVTGJS-ONEGZZNKSA-NInChI: 1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+
-
首页
400-620-6333











