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氧化苦参碱CAS号: 16837-52-8分子式: C15H24N2O2 分子量: 264.36IUPAC Name: (1R,2R,9S,17S)-13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadecan-6-oneSMILES: C1CC2C3CCC[N+]4(C3C(CCC4)CN2C(=O)C1)[O-]InChIKey: XVPBINOPNYFXID-LHDUFFHYSA-NInChI: 1S/C15H24N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-,17?/m0/s1
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牛蒡子苷元CAS号: 7770-78-7分子式: C21H24O6 分子量: 372.41IUPAC Name: (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-oneSMILES: COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)O)OC)OCInChIKey: NQWVSMVXKMHKTF-JKSUJKDBSA-NInChI: 1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1
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LDN-57444,可逆的竞争性UCH-L1抑制剂CAS号: 668467-91-2分子式: C17H11Cl3N2O3 分子量: 397.64IUPAC Name: [(Z)-[5-chloro-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetateSMILES: CC(=O)ON=C1C2=C(C=CC(=C2)Cl)N(C1=O)CC3=C(C=CC(=C3)Cl)ClInChIKey: OPQRFPHLZZPCCH-PGMHBOJBSA-NInChI: 1S/C17H11Cl3N2O3/c1-9(23)25-21-16-13-7-12(19)3-5-15(13)22(17(16)24)8-10-6-11(18)2-4-14(10)20/h2-7H,8H2,1H3/b21-16-
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α-倒捻子素分子式: C24H26O6 分子量: 410.46IUPAC Name: 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-oneSMILES: CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)OC)CC=C(C)C)O)CInChIKey: GNRIZKKCNOBBMO-UHFFFAOYSA-NInChI: 1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3
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三七皂甙 R1CAS号: 80418-24-2分子式: C47H80O18 分子量: 933.14IUPAC Name: See more
SMILES: CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(CO6)O)O)O)C)O)C)OC7C(C(C(C(O7)CO)O)O)O)CInChIKey: LLPWNQMSUYAGQI-OOSPGMBYSA-NInChI: See more -
N-(6-氨基己基)-5-氯-1-萘磺酰胺盐酸盐CAS号: 61714-27-0分子式: C16H21ClN2O2S·HCl 分子量: 377.33IUPAC Name: N-(6-aminohexyl)-5-chloronaphthalene-1-sulfonamide;hydrochlorideSMILES: C1=CC2=C(C=CC=C2Cl)C(=C1)S(=O)(=O)NCCCCCCN.ClInChIKey: OMMOSRLIFSCDBL-UHFFFAOYSA-NInChI: 1S/C16H21ClN2O2S.ClH/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18;/h5-10,19H,1-4,11-12,18H2;1H
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盐酸去甲替林分子式: C19H21N · HCl 分子量: 299.84IUPAC Name: N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;hydrochlorideSMILES: CNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31.ClInChIKey: SHAYBENGXDALFF-UHFFFAOYSA-NInChI: 1S/C19H21N.ClH/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19;/h2-5,7-11,20H,6,12-14H2,1H3;1H
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橄榄苦苷CAS号: 32619-42-4 EC号: 251-129-6分子式: C25H32O13 分子量: 540.51IUPAC Name: methyl (4S,5E,6S)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylateSMILES: CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OCCC3=CC(=C(C=C3)O)OInChIKey: RFWGABANNQMHMZ-ZCHJGGQASA-NInChI: See more
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胡黄连苷ⅡCAS号: 39012-20-9分子式: C23H28O13 分子量: 512.46IUPAC Name: [2-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 4-hydroxy-3-methoxybenzoateSMILES: COC1=C(C=CC(=C1)C(=O)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)OInChIKey: AKNILCMFRRDTEY-UHFFFAOYSA-NInChI: 1S/C23H28O13/c1-31-12-6-9(2-3-11(12)26)20(30)34-18-10-4-5-32-21(14(10)23(8-25)19(18)36-23)35-22-17(29)16(28)15(27)13(7-24)33-22/h2-6,10,13-19,21-22,24-29H,7-8H2,1H3
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大黄素甲醚分子式: C16H12O5 分子量: 284.26IUPAC Name: 1,8-dihydroxy-3-methoxy-6-methylanthracene-9,10-dioneSMILES: CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)OCInChIKey: FFWOKTFYGVYKIR-UHFFFAOYSA-NInChI: 1S/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)14-10(15(9)19)5-8(21-2)6-12(14)18/h3-6,17-18H,1-2H3
