小分子和化合物库
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燕麦甙ACAS号: 24915-65-9 Compound CID : 267363分子式: C51H82O23 分子量: 1063.18IUPAC Name: See moreSMILES: CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)OC19CCC(O9)(C)COC1C(C(C(C(O1)CO)O)O)OInChIKey: AAJHVVLGKCKBSH-UHFFFAOYSA-NInChI: See more
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甘氨酸-1-¹³CCAS号: 20110-59-2分子式: H2NCH213CO2H 分子量: 76.06IUPAC Name: 2-aminoacetic acidSMILES: C(C(=O)O)NInChIKey: DHMQDGOQFOQNFH-VQEHIDDOSA-NInChI: 1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/i2+1
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甘油-1,3-¹³C₂CAS号: 102088-01-7分子式: (HO13CH2)2CHOH 分子量: 94.08IUPAC Name: (1,3-13C2)propane-1,2,3-triolSMILES: C(C(CO)O)OInChIKey: PEDCQBHIVMGVHV-ZDOIIHCHSA-NInChI: 1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2/i1+1,2+1
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甘油-2-¹³CCAS号: 82425-96-5分子式: C213CH8O3 分子量: 93.09IUPAC Name: (213C)propane-1,2,3-triolSMILES: C(C(CO)O)OInChIKey: PEDCQBHIVMGVHV-LBPDFUHNSA-NInChI: 1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2/i3+1
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白环素CAS号: 25129-91-3 Compound CID : 6440973分子式: C18H28O4 分子量: 308.41IUPAC Name: (3E,5R,6E,8S,9E,13S,14R)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-trien-2-oneSMILES: CC1CCC=C(C(C=CC(C=CC(=O)OC1C)(C)O)OC)CInChIKey: BYWWNDLILWPPJP-REXWONOSSA-NInChI: 1S/C18H28O4/c1-13-7-6-8-14(2)16(21-5)9-11-18(4,20)12-10-17(19)22-15(13)3/h8-13,15-16,20H,6-7H2,1-5H3/b11-9+,12-10+,14-8+/t13-,15+,16-,18+/m0/s1
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石蜡苷ACAS号: 84744-28-5 Compound CID : 5273566分子式: C23H26O11 分子量: 478.45IUPAC Name: [(2R,3S,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoateSMILES: C1=CC(=C(C=C1CCOC2C(C(C(C(O2)CO)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O)O)OInChIKey: UHIGZYLCYRQESL-VJWFJHQPSA-NInChI: 1S/C23H26O11/c24-11-18-22(34-19(29)6-3-12-1-4-14(25)16(27)9-12)20(30)21(31)23(33-18)32-8-7-13-2-5-15(26)17(28)10-13/h1-6,9-10,18,20-28,30-31H,7-8,11H2/b6-3+/t18-,20-,21-,22-,23-/m1/s1
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硝基四氢萘CAS号: 50656-78-5分子式: C24H30O7 分子量: 430.49IUPAC Name: (5R,6S,7S)-5-(3,4-dimethoxyphenyl)-4-methoxy-6,7-bis(methoxymethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxoleSMILES: COCC1CC2=CC3=C(C(=C2C(C1COC)C4=CC(=C(C=C4)OC)OC)OC)OCO3InChIKey: LHQDZANQXMRHIV-LZJOCLMNSA-NInChI: 1S/C24H30O7/c1-25-11-16-8-15-10-20-23(31-13-30-20)24(29-5)22(15)21(17(16)12-26-2)14-6-7-18(27-3)19(9-14)28-4/h6-7,9-10,16-17,21H,8,11-13H2,1-5H3/t16-,17-,21+/m1/s1
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硬果酸CAS号: 5956-06-9分子式: C15H24O4 分子量: 268.35IUPAC Name: (3R)-3-[(1S,4R)-4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acidSMILES: CC1CCC(CC1=O)(C(C)CC(=O)O)C(=O)C(C)CInChIKey: ZIOCYJNRYIRTQD-HFAKWTLXSA-NInChI: 1S/C15H24O4/c1-9(2)14(19)15(11(4)7-13(17)18)6-5-10(3)12(16)8-15/h9-11H,5-8H2,1-4H3,(H,17,18)/t10-,11-,15+/m1/s1
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穆匹酰胺CAS号: 66648-43-9分子式: C18H19NO4 分子量: 313.35IUPAC Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamideSMILES: COC1=C(C=CC(=C1)C=CC(=O)NCCC2=CC=C(C=C2)O)OInChIKey: NPNNKDMSXVRADT-WEVVVXLNSA-NInChI: 1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+
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穆拉隆金CAS号: 53011-72-6分子式: C15H14O4 分子量: 258.27IUPAC Name: 2-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-2-enalSMILES: CC(=C(C=O)C1=C(C=CC2=C1OC(=O)C=C2)OC)CInChIKey: PBAZKMWQUBDDLZ-UHFFFAOYSA-NInChI: 1S/C15H14O4/c1-9(2)11(8-16)14-12(18-3)6-4-10-5-7-13(17)19-15(10)14/h4-8H,1-3H3
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