Mol:
104191-95-9.mol by:chem960.com
ChemDraw08031019472D
…………
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24.3216 5.4950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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21.6023 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.6023 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.2426 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
22.9620 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20.2426 3.1400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.5233 3.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.8830 2.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.1637 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.1637 0.7850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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13.4443 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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13.4443 0.7850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.8040 4.7100 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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甘草酸甲酯 Smile 编码:
COC([C@]1(CC[C@@]2(C)[C@H](C3=CC(=O)[C@@H]4[C@]5(CC[C@H](O[C@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2)C)C1)C)=O
甘草酸甲酯 InChi 编码:
甘草酸甲酯 InChiKey 编码:
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