Water → HCID 53873583, 화합물
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[CH3:22][CH2:23][O:24][C:25](=[O:26])[CH3:27].[CH3:28][C:29]([O:30][C:31](=[O:32])[CH3:33])=[O:34].[OH2:21].[OH:1][c:2]1[c:3]([N+:13](=[O:14])[O-:15])[cH:4][c:5]([CH:6]=[CH:7][C:8](=[O:9])[OH:10])[cH:11][cH:12]1.[S:16](=[O:17])(=[O:18])([OH:19])[OH:20]>>[O:1]([c:2]1[c:3]([N+:13](=[O:14])[O-:15])[cH:4][c:5]([CH:6]=[CH:7][C:8](=[O:9])[OH:10])[cH:11][cH:12]1)[C:23]([CH3:22])=[O:24]참가 물질
6
출처 및 근거
- ORD 기록
- ord-71a85e60b6344125a450c51a862eadff
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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