小分子和化合物库
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L-组氨酸盐酸盐一水物CAS号: 5934-29-2分子式: C6H9N3O2·HCl·H2O 分子量: 209.63IUPAC Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrate;hydrochlorideSMILES: O.Cl.N[C@@H](Cc1c[nH]cn1)C(O)=OInChIKey: CMXXUDSWGMGYLZ-XRIGFGBMSA-NInChI: 1S/C6H9N3O2.ClH.H2O/c7-5(6(10)11)1-4-2-8-3-9-4;;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1H;1H2/t5-;;/m0../s1
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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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L -精氨酸 单盐酸盐分子式: C6H14N4O2·HCl 分子量: 210.66IUPAC Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochlorideSMILES: Cl[H].N[C@@H](CCCNC(N)=N)C(O)=OInChIKey: KWTQSFXGGICVPE-WCCKRBBISA-NInChI: 1S/C6H14N4O2.ClH/c7-4(5(11)12)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H/t4-;/m0./s1
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乙二胺四乙酸 二钠盐 二水合物分子式: C10H14N2Na2O8·2H2O 分子量: 372.24IUPAC Name: disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;dihydrateSMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)O.O.O.[Na+].[Na+]InChIKey: OVBJJZOQPCKUOR-UHFFFAOYSA-LInChI: 1S/C10H16N2O8.2Na.2H2O/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;2*1H2/q;2*+1;;/p-2
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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 moreSMILES: 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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![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)