Mol:
517-43-1.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0 0 0
8.1585 7.0638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1589 5.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5191 7.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5191 9.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8788 10.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2384 9.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2384 7.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8788 7.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8788 5.4950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.2384 4.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5981 5.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5981 7.0650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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M END
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番泻叶苷 Smile 编码:
OCC1OC(OC2=CC=CC3C(C4C5C=CC=C(OC6OC(CO)C(O)C(O)C6O)C=5C(=O)C5C(=CC(=CC4=5)C(=O)O)O)C4C=C(C(=O)O)C=C(O)C=4C(=O)C2=3)C(O)C(O)C1O
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