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CAS No.	英文名/中文名/SMILES	分子式	分子量	二维结构图
-	(2S,3R,4aS,12bR)-2,3,4a,8-tetrahydroxy-12b-[(2R,5R,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione - C[C@H]1[C@@H](CC[C@H](O1)O[C@@]23C(=O)[C@H]([C@](C[C@@]2(C=CC4=C3C(=O)C5=C(C4=O)C(=CC=C5)O)O)(C)O)O)O	C₂₅H₂₆O₁₀	486.5
-	(3R)-5-[(1S,2R,4aR,8aR)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoic acid - C[C@H](CC[C@H]1[C@@]2(CCCC([C@H]2CC[C@@]1(C)O)(C)C)C)CC(=O)O	C₂₀H₃₆O₃	324.5
-	6-bromo-3-butanoyl-1,3-benzoxazol-2(3H)-one - CCCC(=O)N1C2=C(C=C(C=C2)Br)OC1=O	C₁₁H₁₀BRNO₃	284.11
-	N-[(1R,2R,5S)-5-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-hydroxycyclohexyl]oxane-4-carboxamide - CC1=NN(C(=N1)[C@H]2CC[C@H]([C@@H](C2)NC(=O)C3CCOCC3)O)C	C₁₆H₂₆N₄O₃	322.40
-	(2S,3S,8S,10R)-5-chloro-10-methyl-20-aza-10-azoniapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),5,14,16,18-pentaene - C[N@+]12CCC3=C([C@@H]1[C@H]4CC(=CC[C@@H]4C2)Cl)NC5=CC=CC=C35	C₁₉H₂₂ClN₂+	313.8
-	3,7-Dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-2,4,6,8-tetraenal - CC1=C(C(CC=C1)(C)C)C=CC(=CC=CC(=CC=O)C)C	C₂₀H₂₆O	282.4
-	5-methyl-3-phenyl-7H-furo[3,2-g]chromen-7-one - CC1=CC(=O)OC2=CC3=C(C=C12)C(=CO3)C4=CC=CC=C4	C₁₈H₁₂O₃	276.3
-	[(1R,2S,4S,8R,9R,11S)-11-methoxy-3,3-dimethyl-7,12-dimethylidene-10-oxatricyclo[6.4.0.02,4]dodecan-9-yl] acetate - CC(=O)O[C@@H]1[C@@H]2[C@@H]([C@@H]3[C@@H](C3(C)C)CCC2=C)C(=C)[C@H](O1)OC	C₁₈H₂₆O₄	306.4
-	3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(thiazol-2-yl)propanamide - CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)NC3=NC=CS3	C₁₆H₁₄N₂O₄S	330.4
146406-84-0	Pyrizinostatin - CC(=O)CC12C(=NN(C(=O)N1)C)N(C(=O)N(C2=O)C)C	C₁₁H₁₅N₅O₄	281.27

(2S,3R,4aS,12bR)-2,3,4a,8-tetrahydroxy-12b-[(2R,5R,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione

C₂₅H₂₆O₁₀ 486.5

(3R)-5-[(1S,2R,4aR,8aR)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoic acid

C₂₀H₃₆O₃ 324.5

6-bromo-3-butanoyl-1,3-benzoxazol-2(3H)-one

C₁₁H₁₀BRNO₃ 284.11

N-[(1R,2R,5S)-5-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-hydroxycyclohexyl]oxane-4-carboxamide

C₁₆H₂₆N₄O₃ 322.40

(2S,3S,8S,10R)-5-chloro-10-methyl-20-aza-10-azoniapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),5,14,16,18-pentaene

C₁₉H₂₂ClN₂+ 313.8

3,7-Dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-2,4,6,8-tetraenal

C₂₀H₂₆O 282.4

5-methyl-3-phenyl-7H-furo[3,2-g]chromen-7-one

C₁₈H₁₂O₃ 276.3

[(1R,2S,4S,8R,9R,11S)-11-methoxy-3,3-dimethyl-7,12-dimethylidene-10-oxatricyclo[6.4.0.02,4]dodecan-9-yl] acetate

C₁₈H₂₆O₄ 306.4

3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(thiazol-2-yl)propanamide

C₁₆H₁₄N₂O₄S 330.4

C₁₁H₁₅N₅O₄ 281.27

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