小分子和化合物库
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芸苔素内酯(Brassinolide)CAS号: 72962-43-7分子式: C28H48O6 分子量: 480.69IUPAC Name: (1S,2R,4R,5S,7S,11S,12S,15R,16S)-15-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-oneSMILES: CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2COC(=O)C4C3(CC(C(C4)O)O)C)C)O)OInChIKey: IXVMHGVQKLDRKH-KNBKMWSGSA-NInChI: See more
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结晶紫CAS号: 548-62-9分子式: C25H30N3Cl 分子量: 407.98IUPAC Name: [4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;chlorideSMILES: CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.[Cl-]InChIKey: ZXJXZNDDNMQXFV-UHFFFAOYSA-MInChI: 1S/C25H30N3.ClH/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;/h7-18H,1-6H3;1H/q+1;/p-1
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结晶紫CAS号: 548-62-9分子式: C25H30N3Cl 分子量: 407.98IUPAC Name: [4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;chlorideSMILES: CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.[Cl-]InChIKey: ZXJXZNDDNMQXFV-UHFFFAOYSA-MInChI: 1S/C25H30N3.ClH/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;/h7-18H,1-6H3;1H/q+1;/p-1
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6-羧基四甲基罗丹明CAS号: 91809-67-5分子式: C25H22N2O5 分子量: 430.45IUPAC Name: 4-carboxy-3-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoateSMILES: CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=CC(=C4)C(=O)[O-])C(=O)OInChIKey: COCMHKNAGZHBDZ-UHFFFAOYSA-NInChI: 1S/C25H22N2O5/c1-26(2)15-6-9-18-21(12-15)32-22-13-16(27(3)4)7-10-19(22)23(18)20-11-14(24(28)29)5-8-17(20)25(30)31/h5-13H,1-4H3,(H-,28,29,30,31)
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6-羧基四甲基罗丹明琥珀酰亚胺酯CAS号: 150810-69-8分子式: C29H25N3O7 分子量: 527.52IUPAC Name: 2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylbenzoateSMILES: CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=CC(=C4)C(=O)ON5C(=O)CCC5=O)C(=O)[O-]InChIKey: PAOQTZWNYMMSEE-UHFFFAOYSA-NInChI: 1S/C29H25N3O7/c1-30(2)17-6-9-20-23(14-17)38-24-15-18(31(3)4)7-10-21(24)27(20)22-13-16(5-8-19(22)28(35)36)29(37)39-32-25(33)11-12-26(32)34/h5-10,13-15H,11-12H2,1-4H3
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薯蓣皂素分子式: C27H42O3 分子量: 414.62IUPAC Name: (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-olSMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)OC1InChIKey: WQLVFSAGQJTQCK-VKROHFNGSA-NInChI: 1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
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磷酸二鲸蜡酯分子式: C32H67O4P 分子量: 546.85IUPAC Name: dihexadecyl hydrogen phosphateSMILES: CCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCCInChIKey: RNPXCFINMKSQPQ-UHFFFAOYSA-NInChI: 1S/C32H67O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-37(33,34)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3,(H,33,34)
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2',7'-二氯荧光素分子式: C20H10Cl2O5 分子量: 401.2IUPAC Name: 2',7'-dichloro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-oneSMILES: C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C=C4OC5=CC(=C(C=C35)Cl)O)O)ClInChIKey: VFNKZQNIXUFLBC-UHFFFAOYSA-NInChI: 1S/C20H10Cl2O5/c21-13-5-11-17(7-15(13)23)26-18-8-16(24)14(22)6-12(18)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,23-24H
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顺式-4,7,10,13,16,19-二十二碳六烯酸乙酯CAS号: 84494-72-4分子式: C24H36O2 分子量: 356.54IUPAC Name: ethyl (4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoateSMILES: CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OCCInChIKey: ITNKVODZACVXDS-YATCGRJWSA-NInChI: 1S/C24H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2/h5-6,8-9,11-12,14-15,17-18,20-21H,3-4,7,10,13,16,19,22-23H2,1-2H3/b6-5+,9-8+,12-11+,15-14+,18-17+,21-20+
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柔红霉素盐酸盐分子式: C27H29NO10 · HCl 分子量: 563.98IUPAC Name: (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochlorideSMILES: Cl.COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=OInChIKey: GUGHGUXZJWAIAS-QQYBVWGSSA-NInChI: See more
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5,15-二苯基卟啉CAS号: 22112-89-6 Compound CID : 10895852分子式: C32H22N4 分子量: 462.56IUPAC Name: 10,20-diphenyl-21,22-dihydroporphyrinSMILES: C1=CC=C(C=C1)C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC(=N5)C=C6C=CC2=N6)C7=CC=CC=C7)N3InChIKey: QIBKIAFNCVIIMG-UHFFFAOYSA-NInChI: 1S/C32H22N4/c1-3-7-21(8-4-1)31-27-15-11-23(33-27)19-25-13-17-29(35-25)32(22-9-5-2-6-10-22)30-18-14-26(36-30)20-24-12-16-28(31)34-24/h1-20,33,35H
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2-乙基己基二苯基磷酸酯分子式: C20H27O4P 分子量: 362.4IUPAC Name: 2-ethylhexyl diphenyl phosphateSMILES: CCCCC(CC)COP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2InChIKey: CGSLYBDCEGBZCG-UHFFFAOYSA-NInChI: 1S/C20H27O4P/c1-3-5-12-18(4-2)17-22-25(21,23-19-13-8-6-9-14-19)24-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3
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