小分子和化合物库
选项
-
-
(10E,15Z)-9,12,13-三羟基八十-10,15-二烯oic acidCAS号: 185147-97-1 Compound CID : 44559173分子量: 328.44SMILES: CC/C=C\CC(C(/C=C/C(CCCCCCCC(=O)O)O)O)OInChIKey: MKYUCBXUUSZMQB-MKZMYESJSA-NInChI: 1S/C18H32O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h3,7,13-17,19-21H,2,4-6,8-12H2,1H3,(H,22,23)/b7-3-,14-13+
-
(15:3)-漆树酸CAS号: 103904-73-0分子式: C22H30O3 分子量: 342.47IUPAC Name: 2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzoic acidSMILES: C=CCC=CCC=CCCCCCCCC1=C(C(=CC=C1)O)C(=O)OInChIKey: QUVGEKPNSCFQIR-UTOQUPLUSA-NInChI: 1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h2,4-5,7-8,15,17-18,23H,1,3,6,9-14,16H2,(H,24,25)/b5-4-,8-7-
-
1,6,10,14-Phyta四ene-3,5,9-三olCAS号: 263873-69-4分子量: 322.48SMILES: C\\C(C)=C\\CC\\C(C)=C\\C(O)C\\C(C)=C\\C(O)CC(C)(O)C=CInChIKey: ORFNMFQBYRQSRP-IUBLYSDUSA-NInChI: 1S/C20H34O3/c1-7-20(6,23)14-19(22)13-17(5)12-18(21)11-16(4)10-8-9-15(2)3/h7,9,11,13,18-19,21-23H,1,8,10,12,14H2,2-6H3/b16-11+,17-13+
-
3,4-二-O-没食子酰莽草酸CAS号: 95753-51-8 Compound CID : 460900分子式: C21H18O13 分子量: 478.36IUPAC Name: (3R,4R,5R)-3-hydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexene-1-carboxylic acidSMILES: C1C(C(C(C=C1C(=O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)OInChIKey: UFDJVOQZZQZYJG-IIDMSEBBSA-NInChI: 1S/C21H18O13/c22-10-2-8(3-11(23)16(10)27)20(31)33-15-6-7(19(29)30)1-14(26)18(15)34-21(32)9-4-12(24)17(28)13(25)5-9/h1-5,14-15,18,22-28H,6H2,(H,29,30)/t14-,15-,18-/m1/s1
-
-
Icariside F2CAS号: 115009-57-9分子式: C18H26O10 分子量: 402.39IUPAC Name: (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-phenylmethoxyoxane-3,4,5-triolSMILES: C1C(C(C(O1)OCC2C(C(C(C(O2)OCC3=CC=CC=C3)O)O)O)O)(CO)OInChIKey: NJMQSVWMCODQIP-FQXXIRCGSA-NInChI: 1S/C18H26O10/c19-8-18(24)9-27-17(15(18)23)26-7-11-12(20)13(21)14(22)16(28-11)25-6-10-4-2-1-3-5-10/h1-5,11-17,19-24H,6-9H2/t11-,12-,13+,14-,15+,16-,17-,18-/m1/s1
-
MaesopsinCAS号: 5989-16-2分子式: C15H12O6 分子量: 288.25IUPAC Name: 2,4,6-trihydroxy-2-[(4-hydroxyphenyl)methyl]-1-benzofuran-3-oneSMILES: C1=CC(=CC=C1CC2(C(=O)C3=C(C=C(C=C3O2)O)O)O)OInChIKey: LOFYFDPXORJJEE-UHFFFAOYSA-NInChI: 1S/C15H12O6/c16-9-3-1-8(2-4-9)7-15(20)14(19)13-11(18)5-10(17)6-12(13)21-15/h1-6,16-18,20H,7H2
-
N-反式咖啡酰酪胺CAS号: 103188-48-3分子式: C17H17NO4 分子量: 299.32IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamideSMILES: C1=CC(=CC=C1CCNC(=O)C=CC2=CC(=C(C=C2)O)O)OInChIKey: VSHUQLRHTJOKTA-XBXARRHUSA-NInChI: 1S/C17H17NO4/c19-14-5-1-12(2-6-14)9-10-18-17(22)8-4-13-3-7-15(20)16(21)11-13/h1-8,11,19-21H,9-10H2,(H,18,22)/b8-4+
-
Plumeride p-香豆酸盐CAS号: 80416-52-0分子式: C30H32O14 分子量: 616.57IUPAC Name: See moreSMILES: CC(C1=CC2(C=CC3C2C(OC=C3C(=O)OC)OC4C(C(C(C(O4)CO)O)O)O)OC1=O)OC(=O)C=CC5=CC=C(C=C5)OInChIKey: WBCMGDNFDRNGGZ-FKYHQWBNSA-NInChI: See more
-
-
β-D-吡喃葡萄糖基蒲公英酯CAS号: 75911-14-7 Compound CID : 164512135分子式: C21H28O9 分子量: 424.44IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (3aS,6Z,11aR)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylateSMILES: CC1=CC2C(CCC(=CCC1)C(=O)OC3C(C(C(C(O3)CO)O)O)O)C(=C)C(=O)O2InChIKey: SIOXYUXOHTZOOM-GTWBUIRMSA-NInChI: 1S/C21H28O9/c1-10-4-3-5-12(6-7-13-11(2)19(26)28-14(13)8-10)20(27)30-21-18(25)17(24)16(23)15(9-22)29-21/h5,8,13-18,21-25H,2-4,6-7,9H2,1H3/b10-8?,12-5-/t13-,14+,15+,16+,17-,18+,21-/m0/s1
首页
400-620-6333











