小分子和化合物库
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西仑吉肽CAS号: 188968-51-6分子式: C27H40N8O7 分子量: 588.66IUPAC Name: 2-[(2S,5R,8S,11S)-5-benzyl-11-[3-(diaminomethylideneamino)propyl]-7-methyl-3,6,9,12,15-pentaoxo-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acidSMILES: CC(C)C1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)CC(=O)O)CCCN=C(N)NInChIKey: AMLYAMJWYAIXIA-VWNVYAMZSA-NInChI: See more
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色霉素 A3分子式: C57H82O26 分子量: 1183.25IUPAC Name: See moreSMILES: CC1C(C(CC(O1)OC2C(CC3=C(C2=O)C(=C4C(=C3)C=C(C(=C4O)C)OC5CC(C(C(O5)C)OC(=O)C)OC6CC(C(C(O6)C)OC)O)O)C(C(=O)C(C(C)O)O)OC)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)OC(=O)C)(C)O)OInChIKey: ZYVSOIYQKUDENJ-WKSBCEQHSA-NInChI: See more
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γ-亚麻酸乙酯CAS号: 31450-14-3 Compound CID : 9883013分子式: C20H34O2 分子量: 306.48IUPAC Name: ethyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoateSMILES: CCCCCC=CCC=CCC=CCCCCC(=O)OCCInChIKey: MJLYTDAIYLGSRZ-ORZIMQNZSA-NInChI: 1S/C20H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h8-9,11-12,14-15H,3-7,10,13,16-19H2,1-2H3/b9-8-,12-11-,15-14-
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矮牵牛素-3-O-葡萄糖苷分子式: C22H23ClO12 分子量: 514.86IUPAC Name: (2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chlorideSMILES: COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O.[Cl-]InChIKey: HBKZHMZCXXQMOX-YATQZQGFSA-NInChI: See more
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2,2'-Bi(3-hydroxy-1,4-naphthoquinone)CAS号: 33440-64-1 Compound CID : 736158分子式: C20H10O6 分子量: 346.3IUPAC Name: 4-hydroxy-3-(1-hydroxy-3,4-dioxonaphthalen-2-yl)naphthalene-1,2-dioneSMILES: C1=CC=C2C(=C1)C(=C(C(=O)C2=O)C3=C(C4=CC=CC=C4C(=O)C3=O)O)OInChIKey: SXSJQXOTICWTFX-UHFFFAOYSA-NInChI: 1S/C20H10O6/c21-15-9-5-1-3-7-11(9)17(23)19(25)13(15)14-16(22)10-6-2-4-8-12(10)18(24)20(14)26/h1-8,21-22H
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