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[O:15]=[CH:16][CH:17]([CH:18]([CH:19]([CH:20]([CH2:21][OH:22])[OH:23])[OH:24])[OH:25])[OH:26].[OH:27][c:28]1[c:29](-[n:38]2[n:39][c:40]3[c:41]([n+:42]2[O-:43])[cH:44][cH:45][cH:46][cH:47]3)[cH:30][c:31]([C:34]([CH3:35])([CH3:36])[CH3:37])[cH:32][cH:33]1.[S:48](=[O:49])(=[O:50])([OH:51])[OH:52].[cH:1]1[c:2]2[c:11]([cH:12][cH:13][cH:14]1)-[c:6]1[c:5]([cH:10][cH:9][cH:8][cH:7]1)[C:3]2=[O:4]>>[OH:27][c:28]1[c:29](-[n:38]2[n:39][c:40]3[c:41]([n:42]2)[cH:44][cH:45][cH:46][cH:47]3)[cH:30][c:31]([C:34]([CH3:35])([CH3:36])[CH3:37])[cH:32][cH:33]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-63c4cd146cff46bdad83dd72fe4f48dd
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
연결된 노트
불러오는 중…