小分子和化合物库
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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
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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
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比拉斯汀CAS号: 202189-78-4分子式: C28H37N3O3 分子量: 463.62IUPAC Name: 2-[4-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acidSMILES: CCOCCN1C2=CC=CC=C2N=C1C3CCN(CC3)CCC4=CC=C(C=C4)C(C)(C)C(=O)OInChIKey: ACCMWZWAEFYUGZ-UHFFFAOYSA-NInChI: 1S/C28H37N3O3/c1-4-34-20-19-31-25-8-6-5-7-24(25)29-26(31)22-14-17-30(18-15-22)16-13-21-9-11-23(12-10-21)28(2,3)27(32)33/h5-12,22H,4,13-20H2,1-3H3,(H,32,33)
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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
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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
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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
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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+
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奥利万星二磷酸盐CAS号: 192564-14-0分子式: C86H103Cl3N10O34P2 分子量: 1989.09IUPAC Name: See moreSMILES: See moreInChIKey: PWTROOMOPLCZHB-BHYQHFGMSA-NInChI: See more
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