小分子和化合物库
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原花青素B2CAS号: 29106-49-8 Compound CID : 122738分子式: C30H26O12 分子量: 578.52IUPAC Name: (2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triolSMILES: C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)OInChIKey: XFZJEEAOWLFHDH-NFJBMHMQSA-NInChI: See more
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豆甾醇分子式: C29H48O 分子量: 412.69IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olSMILES: CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)CInChIKey: HCXVJBMSMIARIN-PHZDYDNGSA-NInChI: 1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
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二氢辣椒碱CAS号: 19408-84-5分子式: C18H29NO3 分子量: 307.43IUPAC Name: N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamideSMILES: CC(C)CCCCCCC(=O)NCC1=CC(=C(C=C1)O)OCInChIKey: XJQPQKLURWNAAH-UHFFFAOYSA-NInChI: 1S/C18H29NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h10-12,14,20H,4-9,13H2,1-3H3,(H,19,21)
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己烯雌酚(DES)分子式: C18H20O2 分子量: 268.35IUPAC Name: 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenolSMILES: CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)OInChIKey: RGLYKWWBQGJZGM-ISLYRVAYSA-NInChI: 1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
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5-[4-[2-(3,5-二甲基-4-硝基苯乙烯基)苯甲酰胺基]-2-(6-羟基-3-氧代-3H-氧杂蒽-9-基)苯甲酸一水合物CAS号: 1160555-05-4 Compound CID : 131674809分子式: C37H26N2O8·H2O 分子量: 644.63IUPAC Name: 5-[[4-[(E)-2-(3,5-dimethyl-4-nitrophenyl)ethenyl]benzoyl]amino]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid;hydrateSMILES: CC1=CC(=CC(=C1[N+](=O)[O-])C)C=CC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)C4=C5C=CC(=O)C=C5OC6=C4C=CC(=C6)O)C(=O)O.OInChIKey: LICHISZJWNEUDF-BJILWQEISA-NInChI: See more
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血卟啉二盐酸盐CAS号: 17696-69-4分子式: C34H38N4O62HCl 分子量: 671.62IUPAC Name: 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid;dihydrochlorideSMILES: CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)O)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C(C)O.Cl.ClInChIKey: WZQQOXSHARXAID-UHFFFAOYSA-NInChI: See more
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P1, p5-Di(腺苷-5'-)五磷酸盐, 三锂盐分子式: C20H26Li3N10O22P5 分子量: 934.2IUPAC Name: See moreSMILES: [Li+].[Li+].[Li+].C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)NInChIKey: BFBDFBHROZLGEG-JJCYRVQFSA-KInChI: See more
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α-毒伞肽分子式: C39H54N10O14S 分子量: 918.97IUPAC Name: See moreSMILES: CCC(C)C1C(=O)NCC(=O)NC2CS(=O)C3=C(CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(=O)N)O)C(C)C(CO)O)C5=C(N3)C=C(C=C5)OInChIKey: CIORWBWIBBPXCG-UHFFFAOYSA-NInChI: See more
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![5-[4-[2-(3,5-二甲基-4-硝基苯乙烯基)苯甲酰胺基]-2-(6-羟基-3-氧代-3H-氧杂蒽-9-基)苯甲酸一水合物](https://mgt-cn248-dev.env.aladdin-e.com/media/catalog/product/cache/376550291f0b07c370a96cc20f301bc2/D/1/D154835.png)




