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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: InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)15-19(33)14-10(29)5-12(8-1-3-9(28)4-2-8)39-24(14)16(20(15)34)25-22(36)17(31)11(30)7-38-25/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13+,17-,18+,21-,22+,23+,25-,26-/m0/s1
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(+)-(S)-3-羟基丁酸甲酯CAS号 : 53562-86-0 Compound CID : 6950307分子式: C5H10O3 分子量: 118.13IUPAC Name: methyl (3S)-3-hydroxybutanoateSMILES: CC(CC(=O)OC)OInChIKey: LDLDJEAVRNAEBW-BYPYZUCNSA-NInChI: InChI=1S/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3/t4-/m0/s1
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(+)-叔-D-乳酸丁酯CAS号 : 68166-83-6 Compound CID : 10953655分子式: C7H14O3 分子量: 146.18IUPAC Name: tert-butyl (2R)-2-hydroxypropanoateSMILES: CC(C(=O)OC(C)(C)C)OInChIKey: IXXMVXXFAJGOQO-RXMQYKEDSA-NInChI: InChI=1S/C7H14O3/c1-5(8)6(9)10-7(2,3)4/h5,8H,1-4H3/t5-/m1/s1
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(1R,2R)-1,2-双(2-羟基苯基)乙二胺CAS号 : 870991-70-1 Compound CID : 16218403分子式: C14H16N2O2 分子量: 244.29IUPAC Name: 2-[(1R,2R)-1,2-diamino-2-(2-hydroxyphenyl)ethyl]phenolSMILES: C1=CC=C(C(=C1)C(C(C2=CC=CC=C2O)N)N)OInChIKey: MRNPLGLZBUDMRE-ZIAGYGMSSA-NInChI: InChI=1S/C14H16N2O2/c15-13(9-5-1-3-7-11(9)17)14(16)10-6-2-4-8-12(10)18/h1-8,13-14,17-18H,15-16H2/t13-,14-/m1/s1
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(1R,2R)-反式-2-乙酰氧基-1-环戊醇CAS号 : 105663-22-7 Compound CID : 12483669分子式: C7H12O3 分子量: 144.17IUPAC Name: [(1R,2R)-2-hydroxycyclopentyl] acetateSMILES: CC(=O)OC1CCCC1OInChIKey: YRJFZPSFQDTFRK-RNFRBKRXSA-NInChI: InChI=1S/C7H12O3/c1-5(8)10-7-4-2-3-6(7)9/h6-7,9H,2-4H2,1H3/t6-,7-/m1/s1
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(R)-3-甲基-2-酮基哌嗪CAS号 : 922178-61-8 Compound CID : 16213757分子式: C5H10N2O 分子量: 114.15IUPAC Name: (3R)-3-methylpiperazin-2-oneSMILES: CC1C(=O)NCCN1InChIKey: BSPUWRUTIOUGMZ-SCSAIBSYSA-NInChI: InChI=1S/C5H10N2O/c1-4-5(8)7-3-2-6-4/h4,6H,2-3H2,1H3,(H,7,8)/t4-/m1/s1
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(S)-3-甲基-2-酮基哌嗪CAS号 : 78551-38-9 Compound CID : 13190462分子式: C5H10N2O 分子量: 114.15IUPAC Name: (3S)-3-methylpiperazin-2-oneSMILES: CC1C(=O)NCCN1InChIKey: BSPUWRUTIOUGMZ-BYPYZUCNSA-NInChI: InChI=1S/C5H10N2O/c1-4-5(8)7-3-2-6-4/h4,6H,2-3H2,1H3,(H,7,8)/t4-/m0/s1
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(S,R,R)-(+)-(3,5-二氧杂-4-磷环庚烷[2,1-a: 3,4-a']二萘-4-基)双(1-苯乙基)胺CAS号 : 497883-22-4 Compound CID : 23592741分子式: C36H30NO2P 分子量: 539.6IUPAC Name: N,N-bis(1-phenylethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amineSMILES: CC(C1=CC=CC=C1)N(C(C)C2=CC=CC=C2)P3OC4=C(C5=CC=CC=C5C=C4)C6=C(O3)C=CC7=CC=CC=C76InChIKey: LKZPDRCMCSBQFN-UHFFFAOYSA-NInChI: InChI=1S/C36H30NO2P/c1-25(27-13-5-3-6-14-27)37(26(2)28-15-7-4-8-16-28)40-38-33-23-21-29-17-9-11-19-31(29)35(33)36-32-20-12-10-18-30(32)22-24-34(36)39-40/h3-26H,1-2H3
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1,3-双(2-环己基萘-1-基)咪唑啉四氟硼酸盐CAS号 : 1208220-06-7 Compound CID : 117065233分子式: C35H39BF4N2 分子量: 574.5IUPAC Name: 1,3-bis(2-cyclohexylnaphthalen-1-yl)-4,5-dihydroimidazol-1-ium;tetrafluoroborateSMILES: [B-](F)(F)(F)F.C1CCC(CC1)C2=C(C3=CC=CC=C3C=C2)N4CC[N+](=C4)C5=C(C=CC6=CC=CC=C65)C7CCCCC7InChIKey: KBRLMOORIQOPIZ-UHFFFAOYSA-NInChI: InChI=1S/C35H39N2.BF4/c1-3-11-26(12-4-1)32-21-19-28-15-7-9-17-30(28)34(32)36-23-24-37(25-36)35-31-18-10-8-16-29(31)20-22-33(35)27-13-5-2-6-14-27;2-1(3,4)5/h7-10,15-22,25-27H,1-6,11-14,23-24H2;/q+1;-1