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小分子和化合物库
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撇脂分子式: C15H16O8 分子量: 324.28IUPAC Name: 7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-oneSMILES: C1=CC(=CC2=C1C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)OInChIKey: VPAOSFFTKWUGAD-TVKJYDDYSA-NInChI: 1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3-1-7-2-4-11(17)22-9(7)5-8/h1-5,10,12-16,18-20H,6H2/t10-,12-,13+,14-,15-/m1/s1
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皂甙BCAS号: 95645-52-6分子量: 328.36SMILES: O[C@@H]([C@@H](O[C@@H]([C@H]1O)CO)OC2=C(C)C=C(O)C(C(C)C)=C2)[C@H]1OInChIKey: XFPSRAYOBUHKRV-IBEHDNSVSA-NInChI: 1S/C16H24O7/c1-7(2)9-5-11(8(3)4-10(9)18)22-16-15(21)14(20)13(19)12(6-17)23-16/h4-5,7,12-21H,6H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1
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维生素D₂（6,19,19-d₃）溶液CAS号: 1217448-46-8分子式: C28D3H41O 分子量: 399.67IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-deuterioethylidene]-4-(dideuteriomethylidene)cyclohexan-1-olSMILES: CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)CInChIKey: MECHNRXZTMCUDQ-OQGZBSKRSA-NInChI: See more
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胆固醇-2,2,3,4,4,6-d₆CAS号: 92543-08-3分子式: C27H40D6O 分子量: 392.69IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-2,2,3,4,4,6-hexadeuterio-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-olSMILES: [2H]C1=C2C([2H])([2H])[C@@]([2H])(O)C([2H])([2H])C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3C1)[C@H](C)CCCC(C)CInChIKey: HVYWMOMLDIMFJA-HHPLMCQASA-NInChI: 1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1/i9D,13D2,17D2,21D
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胡椒油ACAS号: 30505-92-1 Compound CID : 11141599分子式: C19H25NO3 分子量: 315.41IUPAC Name: (E)-7-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylhept-6-en-1-oneSMILES: C1CCN(CC1)C(=O)CCCCC=CC2=CC3=C(C=C2)OCO3InChIKey: MIWPBXQTBYPJEF-XBXARRHUSA-NInChI: 1S/C19H25NO3/c21-19(20-12-6-3-7-13-20)9-5-2-1-4-8-16-10-11-17-18(14-16)23-15-22-17/h4,8,10-11,14H,1-3,5-7,9,12-13,15H2/b8-4+
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锌醇CAS号: 17811-28-8 Compound CID : 87317分子式: C15H22O4 分子量: 266.33IUPAC Name: [2-(hydroxymethyl)-3-methoxy-4-methyl-5-(3-methylbut-2-enoxy)phenyl]methanolSMILES: CC1=C(C=C(C(=C1OC)CO)CO)OCC=C(C)CInChIKey: DUMQPTRUYCCSEZ-UHFFFAOYSA-NInChI: 1S/C15H22O4/c1-10(2)5-6-19-14-7-12(8-16)13(9-17)15(18-4)11(14)3/h5,7,16-17H,6,8-9H2,1-4H3
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油酸-9,10-d₂CAS号: 5711-29-5分子式: CH3(CH2)7CD=CD(CH2)7CO2H 分子量: 284.47IUPAC Name: (Z)-9,10-dideuteriooctadec-9-enoic acidSMILES: CCCCCCCCC=CCCCCCCCC(=O)OInChIKey: ZQPPMHVWECSIRJ-FGFBQCSHSA-NInChI: 1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-/i9D,10D
