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小分子和化合物库
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香蜂草苷CAS号: 14259-47-3 EC号: 238-139-6分子式: C28H34O14 分子量: 594.56IUPAC Name: (2S)-5-hydroxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-oneSMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)OC)O)O)O)O)O)O)OInChIKey: RMCRQBAILCLJGU-HIBKWJPLSA-NInChI: See more
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天然辣椒碱分子式: C18H27NO3 分子量: 305.41IUPAC Name: (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamideSMILES: CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OCInChIKey: YKPUWZUDDOIDPM-SOFGYWHQSA-NInChI: 1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
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蜕皮激素CAS号: 5289-74-7分子式: C27H44O7 分子量: 480.63IUPAC Name: (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-oneSMILES: CC12CCC3C(=CC(=O)C4C3(CC(C(C4)O)O)C)C1(CCC2C(C)(C(CCC(C)(C)O)O)O)OInChIKey: NKDFYOWSKOHCCO-YPVLXUMRSA-NInChI: See more
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土大黄苷分子式: C21H24O9 分子量: 420.41IUPAC Name: (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triolSMILES: COC1=C(C=C(C=C1)C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)OInChIKey: GKAJCVFOJGXVIA-DXKBKAGUSA-NInChI: 1S/C21H24O9/c1-28-16-5-4-11(8-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1
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夏佛塔苷CAS号: 51938-32-0 Compound CID : 442658分子式: C26H28O14 分子量: 564.49IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-oneSMILES: C1C(C(C(C(O1)C2=C3C(=C(C(=C2O)C4C(C(C(C(O4)CO)O)O)O)O)C(=O)C=C(O3)C5=CC=C(C=C5)O)O)O)OInChIKey: MMDUKUSNQNWVET-VYUBKLCTSA-NInChI: See more
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1，2-二氢丹参醌CAS号: 77769-21-2 Compound CID : 105119IUPAC Name: 1,6-dimethyl-8,9-dihydronaphtho[1,2-g][1]benzofuran-10,11-dioneSMILES: CC1=CCCC2=C1C=CC3=C2C(=O)C(=O)C4=C3OC=C4CInChIKey: OYOSADAKNZWZGA-UHFFFAOYSA-NInChI: 1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h4,6-8H,3,5H2,1-2H3
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泻鼠李皮苷A/大黄素-3-O-鼠李糖苷分子式: C21H20O9 分子量: 416.38IUPAC Name: 1,8-dihydroxy-3-methyl-6-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyanthracene-9,10-dioneSMILES: CC1C(C(C(C(O1)OC2=CC3=C(C(=C2)O)C(=O)C4=C(C3=O)C=C(C=C4O)C)O)O)OInChIKey: DTTVUKLWJFJOHO-FUCRAMRQSA-NInChI: 1S/C21H20O9/c1-7-3-10-14(12(22)4-7)18(26)15-11(17(10)25)5-9(6-13(15)23)30-21-20(28)19(27)16(24)8(2)29-21/h3-6,8,16,19-24,27-28H,1-2H3/t8-,16-,19+,20+,21-/m0/s1
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伽升沃ECAS号: 112649-21-5 Compound CID : 10298511IUPAC Name: 2,3,6,8-tetrahydroxy-1,4,7-tris(3-methylbut-2-enyl)xanthen-9-oneSMILES: CC(=CCC1=C(C2=C(C=C1O)OC3=C(C(=C(C(=C3C2=O)CC=C(C)C)O)O)CC=C(C)C)O)CInChIKey: WVJYEKGQSBGNRP-UHFFFAOYSA-NInChI: 1S/C28H32O6/c1-14(2)7-10-17-20(29)13-21-23(24(17)30)27(33)22-18(11-8-15(3)4)25(31)26(32)19(28(22)34-21)12-9-16(5)6/h7-9,13,29-32H,10-12H2,1-6H3
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异黄芩素CAS号: 41440-05-5 Compound CID : 5281665IUPAC Name: 5,7,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-oneSMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)O)OInChIKey: NXHQVROAKYDSNW-UHFFFAOYSA-NInChI: 1S/C15H10O6/c16-8-3-1-7(2-4-8)12-6-10(18)13-9(17)5-11(19)14(20)15(13)21-12/h1-6,16-17,19-20H
