HCID 21317653, 화합물 → 12-Hydroxy-8-(methanesulfonyl)heptadecanoic acid
반응식
[CH3:1][S:2](=[O:3])(=[O:4])[CH:5]([CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][C:12](=[O:13])[OH:14])[CH2:15][C:16]#[C:17][CH:18]([CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[OH:24].[CH3:25][S:26]([CH:27]([CH2:28][C:29]#[C:30][CH:31]([OH:32])[CH2:33][CH2:34][CH2:35][CH2:36][CH3:37])[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][C:44]([OH:45])=[O:46])(=[O:47])=[O:48]>>[CH3:1][S:2](=[O:3])(=[O:4])[CH:5]([CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][C:12](=[O:13])[OH:14])[CH2:15][CH2:16][CH2:17][CH:18]([CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[OH:24]참가 물질
2
출처 및 근거
- ORD 기록
- ord-2976fa718a09498780af9776dd528e82
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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