Acetic Acid → HCID 20566313, 화합물
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[CH3:27][C:28](=[O:29])[OH:30].[K+:26].[OH-:25].[OH:21][N+:22]([O-:23])=[O:24].[S:1](=[O:2])(=[O:3])([OH:4])[OH:5].[c:6]1([CH2:12][CH2:13][CH2:14][c:15]2[cH:16][cH:17][n:18][cH:19][cH:20]2)[cH:7][cH:8][cH:9][cH:10][cH:11]1>>[c:6]1([CH2:12][CH2:13][CH2:14][c:15]2[cH:16][cH:17][n:18][cH:19][cH:20]2)[cH:7][cH:8][c:9]([N+:22](=[O:21])[O-:23])[cH:10][cH:11]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-332354d3069e4a679b9ab6967b503570
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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