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安塞蜜CAS号: 55589-62-3 EC号: 259-715-3分子式: C4H4KNO4S 分子量: 201.24IUPAC Name: potassium;6-methyl-2,2-dioxo-1-oxa-2λ6-thia-3-azanidacyclohex-5-en-4-oneSMILES: CC1=CC(=O)[N-]S(=O)(=O)O1.[K+]InChIKey: WBZFUFAFFUEMEI-UHFFFAOYSA-MInChI: 1S/C4H5NO4S.K/c1-3-2-4(6)5-10(7,8)9-3;/h2H,1H3,(H,5,6);/q;+1/p-1
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盐酸利多卡因一水合物CAS号: 6108-05-0分子式: C14H22N2O · HCl · H2O 分子量: 288.81IUPAC Name: 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;hydrate;hydrochlorideSMILES: CCN(CC)CC(=O)NC1=C(C=CC=C1C)C.O.ClInChIKey: YECIFGHRMFEPJK-UHFFFAOYSA-NInChI: 1S/C14H22N2O.ClH.H2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;;/h7-9H,5-6,10H2,1-4H3,(H,15,17);1H;1H2
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木兰脂素CAS号: 31008-18-1分子式: C23H28O7 分子量: 416.46IUPAC Name: (3S,3aR,6S,6aR)-3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furanSMILES: COC1=C(C=C(C=C1)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)OC)OC)OCInChIKey: MFIHSKBTNZNJIK-RZTYQLBFSA-NInChI: 1S/C23H28O7/c1-24-17-7-6-13(8-18(17)25-2)21-15-11-30-22(16(15)12-29-21)14-9-19(26-3)23(28-5)20(10-14)27-4/h6-10,15-16,21-22H,11-12H2,1-5H3/t15-,16-,21+,22+/m0/s1
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3-(4-甲基苯亚甲基)-樟脑CAS号: 36861-47-9分子式: C18H22O 分子量: 254.37IUPAC Name: (3Z)-1,7,7-trimethyl-3-[(4-methylphenyl)methylidene]bicyclo[2.2.1]heptan-2-oneSMILES: CC1=CC=C(C=C1)C=C2C3CCC(C2=O)(C3(C)C)CInChIKey: HEOCBCNFKCOKBX-KAMYIIQDSA-NInChI: 1S/C18H22O/c1-12-5-7-13(8-6-12)11-14-15-9-10-18(4,16(14)19)17(15,2)3/h5-8,11,15H,9-10H2,1-4H3/b14-11-
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氯化两面针碱CAS号: 13063-04-2分子式: C21H18ClNO4 分子量: 383.82IUPAC Name: 2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium;chlorideSMILES: C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC.[Cl-]InChIKey: QLDAACVSUMUMOR-UHFFFAOYSA-MInChI: 1S/C21H18NO4.ClH/c1-22-10-13-7-17(23-2)18(24-3)8-15(13)14-5-4-12-6-19-20(26-11-25-19)9-16(12)21(14)22;/h4-10H,11H2,1-3H3;1H/q+1;/p-1
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1-O-十六烷基-2-乙酰基-sn-甘油-3-磷酸胆碱CAS号: 74389-68-7分子式: C26H54NO7P 分子量: 523.68IUPAC Name: [(2R)-2-acetyloxy-3-hexadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphateSMILES: CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CInChIKey: HVAUUPRFYPCOCA-AREMUKBSSA-NInChI: 1S/C26H54NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31-23-26(34-25(2)28)24-33-35(29,30)32-22-20-27(3,4)5/h26H,6-24H2,1-5H3/t26-/m1/s1
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磷酸吡哆醛（PLP）CAS号: 54-47-7分子式: C8H10NO6P 分子量: 247.14IUPAC Name: (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphateSMILES: CC1=NC=C(C(=C1O)C=O)COP(=O)(O)OInChIKey: NGVDGCNFYWLIFO-UHFFFAOYSA-NInChI: 1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
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磷酸吡哆醛（PLP）CAS号: 54-47-7分子式: C8H10NO6P 分子量: 247.14IUPAC Name: (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphateSMILES: CC1=NC=C(C(=C1O)C=O)COP(=O)(O)OInChIKey: NGVDGCNFYWLIFO-UHFFFAOYSA-NInChI: 1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
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5-磷酸吡哆醛酯一水合物CAS号: 41468-25-1 EC号: MFCD00149414分子式: C8H10NO6P.H2O 分子量: 265.16IUPAC Name: (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate;hydrateSMILES: CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O.OInChIKey: CEEQUQSGVRRXQI-UHFFFAOYSA-NInChI: 1S/C8H10NO6P.H2O/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14;/h2-3,11H,4H2,1H3,(H2,12,13,14);1H2
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贝母素乙CAS号: 18059-10-4分子式: C27H43NO3 分子量: 429.64IUPAC Name: (1R,2S,6S,9S,10S,11S,14S,15S,18S,20S,23R,24S)-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-oneSMILES: CC1CCC2C(C3CCC4C(C3CN2C1)CC5C4CC(=O)C6C5(CCC(C6)O)C)(C)OInChIKey: IQDIERHFZVCNRZ-YUYPDVIUSA-NInChI: 1S/C27H43NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-23,25,29,31H,4-14H2,1-3H3/t15-,16-,17+,18+,19-,20-,21-,22-,23+,25-,26+,27-/m0/s1
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2-(2-氨基-3-甲氧苯基)色酮CAS号: 167869-21-8分子式: C16H13NO3 分子量: 267.28IUPAC Name: 2-(2-amino-3-methoxyphenyl)chromen-4-oneSMILES: COC1=CC=CC(=C1N)C2=CC(=O)C3=CC=CC=C3O2InChIKey: QFWCYNPOPKQOKV-UHFFFAOYSA-NInChI: 1S/C16H13NO3/c1-19-14-8-4-6-11(16(14)17)15-9-12(18)10-5-2-3-7-13(10)20-15/h2-9H,17H2,1H3
