小分子和化合物库
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(+)-氯化毒蕈碱CAS号: 2303-35-7分子式: C9H20ClNO2 分子量: 209.71IUPAC Name: [(2S,4R,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium;chlorideSMILES: C[C@H]1[C@@H](C[C@H](O1)C[N+](C)(C)C)O.[Cl-]InChIKey: WUFRNEJYZWHXLC-CTERPIQNSA-MInChI: 1S/C9H20NO2.ClH/c1-7-9(11)5-8(12-7)6-10(2,3)4;/h7-9,11H,5-6H2,1-4H3;1H/q+1;/p-1/t7-,8-,9+;/m0./s1
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三庚酸甘油酯分子式: [CH3(CH2)5COOCH2]2CHOCO(CH2)5CH3 分子量: 428.6IUPAC Name: 2,3-di(heptanoyloxy)propyl heptanoateSMILES: CCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCCInChIKey: PJHKBYALYHRYSK-UHFFFAOYSA-NInChI: 1S/C24H44O6/c1-4-7-10-13-16-22(25)28-19-21(30-24(27)18-15-12-9-6-3)20-29-23(26)17-14-11-8-5-2/h21H,4-20H2,1-3H3
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黄体酮分子式: C21H30O2 分子量: 314.47IUPAC Name: (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-oneSMILES: CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12CInChIKey: RJKFOVLPORLFTN-LEKSSAKUSA-NInChI: 1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
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木防己苦毒素(苦毒宁+印防己素)CAS号: 124-87-8分子式: C30H34O13 分子量: 602.58IUPAC Name: See moreSMILES: CC(=C)C1C2C3C4(C(C1C(=O)O2)(CC5C4(O5)C(=O)O3)O)C.CC12C3C4C(C(C1(CC5C2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)OInChIKey: VJKUPQSHOVKBCO-ZTYBEOBUSA-NInChI: See more
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