小分子和化合物库
选项
-
枸橘苷CAS号: 14941-08-3 EC号: 239-020-1分子式: C28H34O14 分子量: 594.56IUPAC Name: (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-oneSMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)OC)O)CO)O)O)O)O)OInChIKey: NLAWPKPYBMEWIR-SKYQDXIQSA-NInChI: See more
-
β-谷甾醇分子式: C29H50O 分子量: 414.71IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olSMILES: CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)CInChIKey: KZJWDPNRJALLNS-VJSFXXLFSA-NInChI: 1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
-
薯蓣皂素分子式: C27H42O3 分子量: 414.62IUPAC Name: (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-olSMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)OC1InChIKey: WQLVFSAGQJTQCK-VKROHFNGSA-NInChI: 1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
-
洋蓟素CAS号: 30964-13-7 Compound CID : 5281769分子式: C25H24O12 分子量: 516.45IUPAC Name: (1R,3R,4S,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylic acidSMILES: O[C@@H]1C[C@](C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H]1O)(OC(=O)\C=C\c3ccc(O)c(O)c3)C(O)=OInChIKey: YDDUMTOHNYZQPO-RVXRWRFUSA-NInChI: See more
-
甲胺基阿维菌素苯甲酸盐CAS号: 155569-91-8分子式: C49H75NO13·C7H6O2 分子量: 1008.24IUPAC Name: See moreSMILES: CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)NC)OC)OC)C)C.C1=CC=C(C=C1)C(=O)OInChIKey: GCKZANITAMOIAR-XWVCPFKXSA-NInChI: See more
-
8-姜酚CAS号: 23513-08-8分子式: C19H30O4 分子量: 322.44IUPAC Name: (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-oneSMILES: CCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)OInChIKey: BCIWKKMTBRYQJU-INIZCTEOSA-NInChI: 1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1
-
-
白三烯B4CAS号: 71160-24-2分子式: C20H32O4 分子量: 336.47IUPAC Name: (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acidSMILES: CCCCCC=CCC(C=CC=CC=CC(CCCC(=O)O)O)OInChIKey: VNYSSYRCGWBHLG-AMOLWHMGSA-NInChI: 1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1
-
异鼠李素-3,7-O-二葡萄糖苷IUPAC Name: 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-oneSMILES: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)OInChIKey: ZYYJHXKSQKLEBL-QDYVESOYSA-NInChI: See more
首页
400-620-6333







