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黄芩苷CAS号: 21967-41-9分子式: C21H18O11 分子量: 446.36IUPAC Name: (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acidSMILES: OC1=C2C(OC(=CC2=O)C3=CC=CC=C3)=CC(O[C@@H]4O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]4O)=C1OInChIKey: IKIIZLYTISPENI-ZFORQUDYSA-NInChI: 1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
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(s)-3-羟基丁酸CAS号: 6168-83-8分子式: C4H8O3 分子量: 104.11IUPAC Name: (3S)-3-hydroxybutanoic acidSMILES: CC(CC(=O)O)OInChIKey: WHBMMWSBFZVSSR-VKHMYHEASA-NInChI: 1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1
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罗汉松酸CAS号: 5947-49-9分子式: C17H22O3 分子量: 274.35IUPAC Name: (1S,4aS,10aR)-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acidSMILES: H][C@@]12CCc3ccc(O)cc3[C@@]1(C)CCC[C@]2(C)C(O)=OInChIKey: VJILEYKNALCDDV-OIISXLGYSA-NInChI: 1S/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-5-11-4-6-12(18)10-13(11)16/h4,6,10,14,18H,3,5,7-9H2,1-2H3,(H,19,20)/t14-,16-,17+/m1/s1
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( R )-(+)-香茅醛CAS号: 2385-77-5分子式: C10H18O 分子量: 154.25IUPAC Name: (3R)-3,7-dimethyloct-6-enalSMILES: CC(CCC=C(C)C)CC=OInChIKey: NEHNMFOYXAPHSD-SNVBAGLBSA-NInChI: 1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m1/s1
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(R)-(+)-6-羟基-2,5,7,8-四甲基苯并二氢吡喃-2-羧酸CAS号: 53101-49-8分子式: C14H18O4 分子量: 250.29IUPAC Name: (2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acidSMILES: CC1=C(C2=C(CCC(O2)(C)C(=O)O)C(=C1O)C)CInChIKey: GLEVLJDDWXEYCO-CQSZACIVSA-NInChI: 1S/C14H18O4/c1-7-8(2)12-10(9(3)11(7)15)5-6-14(4,18-12)13(16)17/h15H,5-6H2,1-4H3,(H,16,17)/t14-/m1/s1
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蕈青霉素CAS号: 57186-25-1 Compound CID : 105008分子式: C27H33NO4 分子量: 435.56IUPAC Name: (1S,2R,5S,7R,11S,14S)-11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17,19,21-pentaen-8-oneSMILES: CC12CCC3C(=CC(=O)C(O3)C(C)(C)O)C1(CCC4C2(C5=C(C4)C6=CC=CC=C6N5)C)OInChIKey: ACNHBCIZLNNLRS-UBGQALKQSA-NInChI: 1S/C27H33NO4/c1-24(2,30)23-20(29)14-18-21(32-23)10-11-25(3)26(4)15(9-12-27(18,25)31)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,21,23,28,30-31H,9-13H2,1-4H3/t15-,21-,23-,25+,26+,27+/m0/s1
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