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槲皮素,二水分子式: C15H10O7·2H2O 分子量: 338.27IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;dihydrateSMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O.O.OInChIKey: GMGIWEZSKCNYSW-UHFFFAOYSA-NInChI: 1S/C15H10O7.2H2O/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6;;/h1-5,16-19,21H;2*1H2
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红景天苷CAS号: 10338-51-9 Compound CID : 159278分子式: C14H20O7 分子量: 300.31IUPAC Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triolSMILES: C1=CC(=CC=C1CCOC2C(C(C(C(O2)CO)O)O)O)OInChIKey: ILRCGYURZSFMEG-RKQHYHRCSA-NInChI: 1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1
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雷帕霉素CAS号: 53123-88-9分子式: C51H79NO13 分子量: 914.19IUPAC Name: See more
SMILES: CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OCInChIKey: QFJCIRLUMZQUOT-HPLJOQBZSA-NInChI: See more -
硫酸黄连素水合物CAS号: 316-41-6分子式: C40H36N2O12S·xH2O 分子量: 768.79IUPAC Name: 16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene;sulfateSMILES: COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[O-]S(=O)(=O)[O-]InChIKey: OJVABJMSSDUECT-UHFFFAOYSA-LInChI: 1S/2C20H18NO4.H2O4S/c2*1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;1-5(2,3)4/h2*3-4,7-10H,5-6,11H2,1-2H3;(H2,1,2,3,4)/q2*+1;/p-2
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和厚朴酚CAS号: 35354-74-6分子式: C18H18O2 分子量: 266.33IUPAC Name: 2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenolSMILES: C=CCC1=CC(=C(C=C1)O)C2=CC(=C(C=C2)O)CC=CInChIKey: FVYXIJYOAGAUQK-UHFFFAOYSA-NInChI: 1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2
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异鼠李素分子式: C16H12O7 分子量: 316.26IUPAC Name: 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-oneSMILES: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)OInChIKey: IZQSVPBOUDKVDZ-UHFFFAOYSA-NInChI: 1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3
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异鼠李素分子式: C16H12O7 分子量: 316.26IUPAC Name: 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-oneSMILES: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)OInChIKey: IZQSVPBOUDKVDZ-UHFFFAOYSA-NInChI: 1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3
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靛玉红-3'-单肟CAS号: 160807-49-8分子式: C16H11N3O2 分子量: 277.28IUPAC Name: 3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-olSMILES: C1=CC=C2C(=C1)C(=C(N2)O)C3=C(C4=CC=CC=C4N3)N=OInChIKey: FQCPPVRJPILDIK-UHFFFAOYSA-NInChI: 1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17-18,20H
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去氧紫草素CAS号: 43043-74-9分子式: C16H16O4 分子量: 272.29IUPAC Name: 5,8-dihydroxy-2-(4-methylpent-3-enyl)naphthalene-1,4-dioneSMILES: CC(=CCCC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)CInChIKey: VOMDIEGPEURZJO-UHFFFAOYSA-NInChI: 1S/C16H16O4/c1-9(2)4-3-5-10-8-13(19)14-11(17)6-7-12(18)15(14)16(10)20/h4,6-8,17-18H,3,5H2,1-2H3
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2-吗啉基-4H-嘧啶并[2,1-a]异喹啉-4-酮CAS号: 168425-64-7分子式: C16H15N3O2 分子量: 281.32IUPAC Name: 2-morpholin-4-ylpyrimido[2,1-a]isoquinolin-4-oneSMILES: C1COCCN1C2=CC(=O)N3C=CC4=CC=CC=C4C3=N2InChIKey: BVRDQVRQVGRNHG-UHFFFAOYSA-NInChI: 1S/C16H15N3O2/c20-15-11-14(18-7-9-21-10-8-18)17-16-13-4-2-1-3-12(13)5-6-19(15)16/h1-6,11H,7-10H2
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LY-294,002盐酸盐CAS号: 934389-88-5分子式: C19H18ClNO3 分子量: 343.8IUPAC Name: 2-morpholin-4-yl-8-phenylchromen-4-one;hydrochlorideSMILES: C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4.ClInChIKey: OQZQSRICUOWBLW-UHFFFAOYSA-NInChI: 1S/C19H17NO3.ClH/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14;/h1-8,13H,9-12H2;1H
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双环醇CAS号: 118159-48-1分子式: C19H18O9 分子量: 390.34IUPAC Name: methyl 4-[5-(hydroxymethyl)-7-methoxy-1,3-benzodioxol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxylateSMILES: COC1=C2C(=C(C(=C1)CO)C3=C4C(=C(C=C3C(=O)OC)OC)OCO4)OCO2InChIKey: KXMTXZACPVCDMH-UHFFFAOYSA-NInChI: 1S/C19H18O9/c1-22-11-4-9(6-20)13(17-15(11)25-7-27-17)14-10(19(21)24-3)5-12(23-2)16-18(14)28-8-26-16/h4-5,20H,6-8H2,1-3H3
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