小分子和化合物库
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苯甲醛-CCAS号: 157047-98-8分子式: C24H17N3O3 分子量: 395.41IUPAC Name: 6'-methyl-3-phenylspiro[oxirane-2,7'-quinazolino[3,2-a][1,4]benzodiazepine]-5',13'-dioneSMILES: CN1C(=O)C2=CC=CC=C2N3C(=O)C4=CC=CC=C4N=C3C15C(O5)C6=CC=CC=C6InChIKey: TWDKBDSVUUKABK-UHFFFAOYSA-NInChI: 1S/C24H17N3O3/c1-26-21(28)17-12-6-8-14-19(17)27-22(29)16-11-5-7-13-18(16)25-23(27)24(26)20(30-24)15-9-3-2-4-10-15/h2-14,20H,1H3
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茉莉花甙BCAS号: 188300-82-5 Compound CID : 45359788分子式: C26H30O14 分子量: 566.51IUPAC Name: (4S,5Z,6S)-5-[2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyethylidene]-4-(2-methoxy-2-oxoethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acidSMILES: COC(=O)CC1C(=COC(C1=CCOC(=O)C=CC2=CC=C(C=C2)O)OC3C(C(C(C(O3)CO)O)O)O)C(=O)OInChIKey: MGEVYVDQMTWJNV-HOPHSATRSA-NInChI: See more
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葡萄素CAS号: 129170-22-5分子式: C28H22O6 分子量: 454.47IUPAC Name: 5-[(2S,3S)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diolSMILES: C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)OInChIKey: FQWLMRXWKZGLFI-BQYFGGCBSA-NInChI: 1S/C28H22O6/c29-20-7-2-16(3-8-20)1-4-18-11-24(33)15-25-26(18)27(19-12-22(31)14-23(32)13-19)28(34-25)17-5-9-21(30)10-6-17/h1-15,27-33H/b4-1+/t27-,28+/m0/s1
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角鲨烷ACAS号: 81373-87-7分子量: 250.33SMILES: COC(=O)C(=C)[C@@H]1CC[C@@]2(C)CCCC(=C)[C@@H]2[C@H]1OInChIKey: QKJPFZYODFIADE-KNCOVGOOSA-NInChI: 1S/C16H24O3/c1-10-6-5-8-16(3)9-7-12(14(17)13(10)16)11(2)15(18)19-4/h12-14,17H,1-2,5-9H2,3-4H3/t12-,13+,14-,16+/m0/s1
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诺齿汀CAS号: 17820-07-4分子式: C19H20O4 分子量: 312.36IUPAC Name: 5-hydroxy-2,2-dimethyl-6-(2-methylbut-3-en-2-yl)pyrano[2,3-h]chromen-8-oneSMILES: CC1(C=CC2=C(O1)C3=C(C(=C2O)C(C)(C)C=C)OC(=O)C=C3)CInChIKey: FREXEHTVBRSRGJ-UHFFFAOYSA-NInChI: 1S/C19H20O4/c1-6-18(2,3)14-15(21)11-9-10-19(4,5)23-16(11)12-7-8-13(20)22-17(12)14/h6-10,21H,1H2,2-5H3
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赫拉克诺CAS号: 26091-76-9分子式: C16H16O6 分子量: 304.29IUPAC Name: 9-(2,3-dihydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-oneSMILES: CC(C)(C(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O)OInChIKey: FOINLJRVEBYARJ-UHFFFAOYSA-NInChI: 1S/C16H16O6/c1-16(2,19)11(17)8-21-15-13-10(5-6-20-13)7-9-3-4-12(18)22-14(9)15/h3-7,11,17,19H,8H2,1-2H3
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针叶苷 VIIICAS号: 104109-46-8分子式: C30H42O12 分子量: 594.65IUPAC Name: (2R,3R,4S,5S,6R)-2-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-6-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4,5-triolSMILES: C1C(C(C(O1)OCC2C(C(C(C(O2)OC(CCCCC3=CC=C(C=C3)O)CCC4=CC=C(C=C4)O)O)O)O)O)(CO)OInChIKey: JLMGCBFIPZDHLZ-JKHMXVTDSA-NInChI: See more
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铁酚红分子式: C23H22O7 分子量: 410.42IUPAC Name: (1R,14R)-14-hydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-oneSMILES: CC1(C=CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4(C3=O)O)OC)OC)CInChIKey: AQBZCCQCDWNNJQ-AUSIDOKSSA-NInChI: 1S/C23H22O7/c1-22(2)8-7-12-15(30-22)6-5-13-20(12)29-19-11-28-16-10-18(27-4)17(26-3)9-14(16)23(19,25)21(13)24/h5-10,19,25H,11H2,1-4H3/t19-,23-/m1/s1
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阿琼糖苷ⅠCAS号: 62319-70-4分子式: C36H58O11 分子量: 666.84IUPAC Name: See moreSMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1O)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O)CInChIKey: CMZFNIMQBCBHEX-APNSOIJXSA-NInChI: See more
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