Acetic Acid → HCID 21955351, 화합물
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[CH3:19][C:20](=[O:21])[OH:22].[CH3:26][CH2:27][OH:28].[H:24][H:25].[OH2:23].[OH:1][C:2]1([C:15]#[C:16][CH2:17][OH:18])[CH2:3][CH2:4][N:5]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:6][CH2:7]1>>[OH:1][C:2]1([CH2:15][CH2:16][CH2:17][OH:18])[CH2:3][CH2:4][N:5]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:6][CH2:7]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-c41d101326e740b3bd80fce9084bccbc
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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