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小分子和化合物库
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1-苄基-3-苯基硫脲CAS号: 726-25-0分子式: C14H14N2S 分子量: 242.34IUPAC Name: 1-benzyl-3-phenylthioureaSMILES: C1=CC=C(C=C1)CNC(=S)NC2=CC=CC=C2InChIKey: NXCBDDGSOXJEFZ-UHFFFAOYSA-NInChI: 1S/C14H14N2S/c17-14(16-13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,15,16,17)
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2,6-二甲基苯胺盐酸盐CAS号: 21436-98-6分子式: C8H11N·HCl 分子量: 157.64IUPAC Name: 2,6-dimethylaniline;hydrochlorideSMILES: CC1=C(C(=CC=C1)C)N.ClInChIKey: QNWMFJDRMZWZNN-UHFFFAOYSA-NInChI: 1S/C8H11N.ClH/c1-6-4-3-5-7(2)8(6)9;/h3-5H,9H2,1-2H3;1H
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奥芬达唑CAS号: 53716-50-0分子式: C15H13N3O3S 分子量: 315.35IUPAC Name: methyl N-[6-(benzenesulfinyl)-1H-benzimidazol-2-yl]carbamateSMILES: COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)C3=CC=CC=C3InChIKey: BEZZFPOZAYTVHN-UHFFFAOYSA-NInChI: 1S/C15H13N3O3S/c1-21-15(19)18-14-16-12-8-7-11(9-13(12)17-14)22(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)
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四磷酸哌喹 四水合物CAS号: 915967-82-7 Compound CID : 49849842分子式: C29H32Cl2N6·4H3PO4·4H2O 分子量: 999.55IUPAC Name: 7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline;phosphoric acid;tetrahydrateSMILES: C1CN(CCN1CCCN2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)C5=C6C=CC(=CC6=NC=C5)Cl.O.O.O.O.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)OInChIKey: AMCQDGFOKTXHSY-UHFFFAOYSA-NInChI: See more
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2',4'-二羟基-4-丙炔氧基查尔酮CAS号: 1158019-66-9分子式: C20H20O4 分子量: 324.37IUPAC Name: (E)-1-(2,4-dihydroxyphenyl)-3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-oneSMILES: CC(=CCOC1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2)O)O)CInChIKey: VVSZRCIUFBADJQ-BJMVGYQFSA-NInChI: 1S/C20H20O4/c1-14(2)11-12-24-17-7-3-15(4-8-17)5-10-19(22)18-9-6-16(21)13-20(18)23/h3-11,13,21,23H,12H2,1-2H3/b10-5+
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4',5,7-三羟基-6,8-二pr烯基异flavoneCAS号: 51225-28-6 Compound CID : 480783分子式: C25H26O5 分子量: 406.47IUPAC Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)-6,8-bis(3-methylbut-2-enyl)chromen-4-oneSMILES: CC(=CCC1=C(C(=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)O)CC=C(C)C)O)CInChIKey: UCHYSPNEUSDFQR-UHFFFAOYSA-NInChI: 1S/C25H26O5/c1-14(2)5-11-18-22(27)19(12-6-15(3)4)25-21(23(18)28)24(29)20(13-30-25)16-7-9-17(26)10-8-16/h5-10,13,26-28H,11-12H2,1-4H3
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单宁ECAS号: 97938-29-9 Compound CID : 21607628分子式: C28H38O17 分子量: 646.59IUPAC Name: 7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-methoxychromen-2-oneSMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C=C4C=CC(=O)OC4=C3)OC)OC5C(C(C(C(O5)C)O)O)O)O)O)O)O)OInChIKey: LLQBCHODNVGKSF-RVXDDWIJSA-NInChI: See more
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花青素 3-O-[β-D-吡喃木糖基-(1,2)-[(4-羟基-3-甲氧基肉桂酰基)-(6)-β-D-吡喃葡萄糖基-(1,6 )]-β-D-吡喃半乳糖苷]CAS号: 142561-99-7 Compound CID : 56776253分子式: C42H47O23+ 分子量: 919.81IUPAC Name: See more SMILES: COC1=C(C=CC(=C1)C=CC(=O)OCC2C(C(C(C(O2)OCC3C(C(C(C(O3)OC4=CC5=C(C=C(C=C5[O+]=C4C6=CC(=C(C=C6)O)O)O)O)OC7C(C(C(CO7)O)O)O)O)O)O)O)O)OInChI: See more
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醋栗单宁CAS号: 76746-56-0分子量: 468.37SMILES: OC1=C(O)C(O)=CC(C(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(C3=CC(O)=C(O)C(O)=C3)=O)OC2)=O)=C1InChIKey: IGKWMHUOBKCUQU-LTCOOKNTSA-NInChI: 1S/C20H20O13/c21-9-1-7(2-10(22)15(9)25)19(29)32-5-13-17(27)18(28)14(6-31-13)33-20(30)8-3-11(23)16(26)12(24)4-8/h1-4,13-14,17-18,21-28H,5-6H2/t13-,14+,17-,18-/m1/s1
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鼠李糖素BCAS号: 886226-15-9分子量: 330.37SMILES: O=C(CCC1=CC(O)=C(C=C1)O)CCCCC2=CC=C(O)C(O)=C2InChIKey: UHRUXUCWHIGENP-UHFFFAOYSA-NInChI: 1S/C19H22O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h6-7,9-12,21-24H,1-5,8H2
![花青素 3-O-[β-D-吡喃木糖基-(1,2)-[(4-羟基-3-甲氧基肉桂酰基)-(6)-β-D-吡喃葡萄糖基-(1,6 )]-β-D-吡喃半乳糖苷]](https://mgt-cn248-dev.env.aladdin-e.com/media/catalog/product/cache/376550291f0b07c370a96cc20f301bc2/C/4/C463114_1.png)
