Ethanol → HCID 57435095, 화합물
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[CH2:15]([CH3:16])[O:17][C:18]([C:19](=[O:20])[O:21][CH2:22][CH3:23])=[O:24].[CH3:25][CH2:26][O-:27].[CH3:29][CH2:30][OH:31].[H-:1].[Na+:28].[Na+:2].[c:3]1([CH:9]([CH2:10][C:11]([CH3:12])=[O:13])[CH3:14])[cH:4][cH:5][cH:6][cH:7][cH:8]1>>[c:3]1([CH:9]([CH2:10][C:11]([CH2:12][C:19]([C:18]([O:17][CH2:15][CH3:16])=[O:24])=[O:20])=[O:13])[CH3:14])[cH:4][cH:5][cH:6][cH:7][cH:8]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-5c5a345dbbb146728402fba08ea1691c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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