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麦芽四糖CAS号 : 34612-38-9 Compound CID : 446495分子式: C24H42O21 分子量: 666.58IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolSMILES: C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)O)CO)CO)CO)O)O)O)OInChIKey: LUEWUZLMQUOBSB-ZLBHSGTGSA-NInChI: InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22-,23-,24-/m1/s1
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(±)-柚皮素CAS号 : 67604-48-2分子式: C15H12O5 分子量: 272.26IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-oneSMILES: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)OInChIKey: FTVWIRXFELQLPI-UHFFFAOYSA-NInChI: InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2
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白桦脂酸分子式: C30H48O3 分子量: 456.7IUPAC Name: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acidSMILES: CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)OInChIKey: QGJZLNKBHJESQX-FZFNOLFKSA-NInChI: InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1
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咖啡酸苯乙酯CAS号 : 104594-70-9 Compound CID : 5281787分子式: C17H16O4 分子量: 284.31IUPAC Name: 2-phenylethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoateSMILES: C1=CC=C(C=C1)CCOC(=O)C=CC2=CC(=C(C=C2)O)OInChIKey: SWUARLUWKZWEBQ-VQHVLOKHSA-NInChI: InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+
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CEP-18770 (Delanzomib),蛋白酶体抑制剂CAS号 : 847499-27-8 Compound CID : 24800541分子式: C21H28BN3O5 分子量: 413.28IUPAC Name: [(1R)-1-[[(2S,3R)-3-hydroxy-2-[(6-phenylpyridine-2-carbonyl)amino]butanoyl]amino]-3-methylbutyl]boronic acidSMILES: B(C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C1=CC=CC(=N1)C2=CC=CC=C2)(O)OInChIKey: SJFBTAPEPRWNKH-CCKFTAQKSA-NInChI: InChI=1S/C21H28BN3O5/c1-13(2)12-18(22(29)30)24-21(28)19(14(3)26)25-20(27)17-11-7-10-16(23-17)15-8-5-4-6-9-15/h4-11,13-14,18-19,26,29-30H,12H2,1-3H3,(H,24,28)(H,25,27)/t14-,18+,19+/m1/s1
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1-甲氧基-3-甲基-9H-咔唑CAS号 : 4532-33-6分子式: C14H13NO 分子量: 211.26IUPAC Name: 1-methoxy-3-methyl-9H-carbazoleSMILES: CC1=CC2=C(C(=C1)OC)NC3=CC=CC=C32InChIKey: HDETUOZJFUNSKG-UHFFFAOYSA-NInChI: InChI=1S/C14H13NO/c1-9-7-11-10-5-3-4-6-12(10)15-14(11)13(8-9)16-2/h3-8,15H,1-2H3
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吲哚并[2,1-b]喹唑啉-6,12-二酮CAS号 : 13220-57-0 Compound CID : 73549分子式: C15H8N2O2 分子量: 248.24IUPAC Name: indolo[2,1-b]quinazoline-6,12-dioneSMILES: C1=CC=C2C(=C1)C(=O)N3C4=CC=CC=C4C(=O)C3=N2InChIKey: VQQVWGVXDIPORV-UHFFFAOYSA-NInChI: InChI=1S/C15H8N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8H