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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	[4-[2-(9H-pyrido[3,4-b]indol-1-yl)ethenyl]phenyl] nitrite - C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C=CC4=CC=C(C=C4)ON=O	C₁₉H₁₃N₃O₂	315.3
-	[(1S,2R,5S,6S,7S,9R,11R,12R,15S,16S)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-12,15-dihydroxy-5-methoxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-6-yl] acetate - CC1=C(C(=O)O[C@H](C1)[C@@](C)([C@@]2(CC[C@@]3([C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C[C@@H]([C@@H]6OC(=O)C)OC)C)O5)C)O)O)O)C	C₃₁H₄₄O₁₀	576.7
-	3-[(5,6-dimethoxy-3-oxo-1H-inden-2-ylidene)methyl]-6-methoxy-1H-quinolin-2-one - COC1=CC2=C(C=C1)NC(=O)C(=C2)C=C3CC4=CC(=C(C=C4C3=O)OC)OC	C₂₂H₁₉NO₅	377.4
118157-94-1	3,6-Dimethyl-4-hydroxycoumarin - CC1=CC2=C(C=C1)OC(=O)C(=C2O)C	C₁₁H₁₀O₃	190.19
-	PS(DiMe(13,5)/MonoMe(11,3)) - CCCCCC1=C(C(=C(O1)CCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCCCCCCCC2=C(C=C(O2)CCC)C)C)C	C₄₉H₈₄NO₁₂P	910.2
-	N-[2-(4-methoxyphenyl)chromen-4-ylidene]hydroxylamine - COC1=CC=C(C=C1)C2=CC(=NO)C3=CC=CC=C3O2	C₁₆H₁₃NO₃	267.28
-	4-Amino-5-[[3-(2-hydroxypropanoylsulfanyl)-1-[(2-methoxy-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid - CC(C(=O)SCC(C(=O)NCC(=O)OC)NC(=O)C(CCC(=O)O)N)O	C₁₄H₂₃N₃O₈S	393.42
-	(2R,6S,7aS)-2-[(2E,4E,6E,8E,10E,12E,14E,16E)-17-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol - CC1=C[C@@H](CC([C@H]1/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/[C@H]2C=C3[C@@](O2)(C[C@H](CC3(C)C)O)C)/C)/C)(C)C)O	C₄₀H₅₆O₃	584.9
-	Punicacortein A - C1=C(C=C(C(=C1O)O)O)C(=O)O[C@H](CO)[C@H]([C@H]2[C@@H]3[C@H](C4=C(C(=C(C(=C4C(=O)O3)C5=C(C(=C(C=C5C(=O)O2)O)O)O)O)O)O)O)O	C₂₇H₂₂O₁₈	634.5
-	25-hydroxy-14-epivitamin D3/25-hydroxy-14-epicholecalciferol - C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C	C₂₇H₄₄O₂	400.6