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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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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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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喹吖因 二盐酸盐分子式: C23H30ClN3O·2HCl 分子量: 472.88IUPAC Name: 4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;dihydrochlorideSMILES: CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC.Cl.ClInChIKey: UDKVBVICMUEIKS-UHFFFAOYSA-NInChI: 1S/C23H30ClN3O.2ClH/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23;;/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26);2*1H
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N-乙酰苯醌亚胺CAS号: 50700-49-7分子式: C8H7NO2 分子量: 149.147IUPAC Name: N-(4-oxocyclohexa-2,5-dien-1-ylidene)acetamideSMILES: CC(=O)N=C1C=CC(=O)C=C1InChIKey: URNSECGXFRDEDC-UHFFFAOYSA-NInChI: 1S/C8H7NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5H,1H3
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伞形毒蕈中的鬼笔环肽CAS号: 17466-45-4 EC号: 241-484-5分子式: C35H48N8O11S 分子量: 788.868IUPAC Name: See moreSMILES: CC1C(=O)NC2CC3=C(NC4=CC=CC=C34)SCC(C(=O)N5CC(CC5C(=O)N1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CC(C)(CO)O)C)C(C)OInChIKey: KPKZJLCSROULON-UHFFFAOYSA-NInChI: See more
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替拉曲可分子式: C14H9I3O4 分子量: 621.93IUPAC Name: 2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acidSMILES: C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(=O)O)I)I)OInChIKey: UOWZUVNAGUAEQC-UHFFFAOYSA-NInChI: 1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20)
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