小分子和化合物库
选项
-
(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-
-
2',4'-二羟基-4-丙炔氧基查尔酮CAS号: 1158019-66-9分子式: C20H20O4 分子量: 324.37IUPAC Name: (E)-1-(2,4-dihydroxyphenyl)-3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-oneSMILES: CC(=CCOC1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2)O)O)CInChIKey: VVSZRCIUFBADJQ-BJMVGYQFSA-NInChI: 1S/C20H20O4/c1-14(2)11-12-24-17-7-3-15(4-8-17)5-10-19(22)18-9-6-16(21)13-20(18)23/h3-11,13,21,23H,12H2,1-2H3/b10-5+
-
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
-
4',5,7-三羟基-6,8-二pr烯基异flavoneCAS号: 51225-28-6 Compound CID : 480783分子式: C25H26O5 分子量: 406.47IUPAC Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)-6,8-bis(3-methylbut-2-enyl)chromen-4-oneSMILES: CC(=CCC1=C(C(=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)O)CC=C(C)C)O)CInChIKey: UCHYSPNEUSDFQR-UHFFFAOYSA-NInChI: 1S/C25H26O5/c1-14(2)5-11-18-22(27)19(12-6-15(3)4)25-21(23(18)28)24(29)20(13-30-25)16-7-9-17(26)10-8-16/h5-10,13,26-28H,11-12H2,1-4H3
-
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+
-
单宁ECAS号: 97938-29-9 Compound CID : 21607628分子式: C28H38O17 分子量: 646.59IUPAC Name: 7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-methoxychromen-2-oneSMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C=C4C=CC(=O)OC4=C3)OC)OC5C(C(C(C(O5)C)O)O)O)O)O)O)O)OInChIKey: LLQBCHODNVGKSF-RVXDDWIJSA-NInChI: See more
-
新镰孢菌酮CAS号: 927209-87-8 Compound CID : 54684865分子式: C34H54O9 分子量: 606.79IUPAC Name: 3-[(2S,3R,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-4-hydroxy-6-[(4E,6E,9Z)-3-hydroxy-8-(hydroxymethyl)-2,6,10,12-tetramethyloctadeca-4,6,9-trien-2-yl]pyran-2-oneSMILES: CCCCCCC(C)CC(=CC(CO)C=C(C)C=CC(C(C)(C)C1=CC(=C(C(=O)O1)C2C(C(CC(O2)CO)O)O)O)O)CInChIKey: HEECQDWUNPZALD-ZBNIOBMFSA-NInChI: See more
-
普罗布考-丙酰基-¹³C3CAS号: 1173019-29-8分子式: ¹³C3C28H48O2S2 分子量: 519.82SMILES: CC(C)(C)c1cc(S[13C]([13CH3])([13CH3])Sc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)CInChIKey: FYPMFJGVHOHGLL-DGVNISHSSA-NInChI: 1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3/i13+1,14+1,31+1
-
-
橄榄苦苷酸CAS号: 96382-90-0 Compound CID : 75111051分子式: C25H30O15 分子量: 570.50IUPAC Name: 2-[4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-methoxycarbonyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-ylidene]acetic acidSMILES: COC(=O)C1=COC(C(=CC(=O)O)C1CC(=O)OCCC2=CC(=C(C=C2)O)O)OC3C(C(C(C(O3)CO)O)O)OInChIKey: XJDJODWHDUVAGF-UHFFFAOYSA-NInChI: 1S/C25H30O15/c1-36-23(35)14-10-38-24(40-25-22(34)21(33)20(32)17(9-26)39-25)13(7-18(29)30)12(14)8-19(31)37-5-4-11-2-3-15(27)16(28)6-11/h2-3,6-7,10,12,17,20-22,24-28,32-34H,4-5,8-9H2,1H3,(H,29,30)
-
花青素 3-O-[β-D-吡喃木糖基-(1,2)-[(4-羟基-3-甲氧基肉桂酰基)-(6)-β-D-吡喃葡萄糖基-(1,6 )]-β-D-吡喃半乳糖苷]CAS号: 142561-99-7 Compound CID : 56776253分子式: C42H47O23+ 分子量: 919.81IUPAC Name: See moreSMILES: COC1=C(C=CC(=C1)C=CC(=O)OCC2C(C(C(C(O2)OCC3C(C(C(C(O3)OC4=CC5=C(C=C(C=C5[O+]=C4C6=CC(=C(C=C6)O)O)O)O)OC7C(C(C(CO7)O)O)O)O)O)O)O)O)OInChI: See more
-
醋栗单宁CAS号: 76746-56-0分子量: 468.37SMILES: OC1=C(O)C(O)=CC(C(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(C3=CC(O)=C(O)C(O)=C3)=O)OC2)=O)=C1InChIKey: IGKWMHUOBKCUQU-LTCOOKNTSA-NInChI: 1S/C20H20O13/c21-9-1-7(2-10(22)15(9)25)19(29)32-5-13-17(27)18(28)14(6-31-13)33-20(30)8-3-11(23)16(26)12(24)4-8/h1-4,13-14,17-18,21-28H,5-6H2/t13-,14+,17-,18-/m1/s1
首页
400-620-6333










![花青素 3-O-[β-D-吡喃木糖基-(1,2)-[(4-羟基-3-甲氧基肉桂酰基)-(6)-β-D-吡喃葡萄糖基-(1,6 )]-β-D-吡喃半乳糖苷]](https://mgt-cn248-dev.env.aladdin-e.com/media/catalog/product/cache/376550291f0b07c370a96cc20f301bc2/C/4/C463114_1.png)
