Mrv1909 04232020182 d 999 V2000型6 0 0 0 0 0.7157 -0.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7157 -0.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4314 -0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 0.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4314 -0.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7157 0.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 6 1 1 0 0 0 0 5 1 2 0 0 0 0 4 3 2 1 0 0 0 0 3 1 0 0 0 0 7 3 2 0 0 0 0 M >结束
DB01762 >
drugbank >
CC (= O) CC (O) = O >
InChI = 1 s / C4H6O3 c1-3 (5) 2 - 4 (6) 7 / h2H2 1 h3 (H、6、7) >
WDJHALXBUFZDSR-UHFFFAOYSA-N >
C4H6O3 >
102.0886 >
102.031694058 >
3 >
13 >
-0.9989420716348688 >
9.179267520270244 >
1 >
1 >
0 >
0 >
3-oxobutanoic酸>
-0.47 >
-0.0014917456666668494 >
0.37 >
0 >
1 >
0 >
1 >
15.56848833737453 >
4.02491706707046 >
-7.473176600242657 >
54.37 >
22.5389 >
2 >
1 >
2.40 e + 2 g / l >
(4 r、5 s、6年代,7 r) 1, 3-dibenzyl-5, 6-dihydroxy-4, 7-bis (phenoxymethyl) 1, 3-diazepan-2-one >
0 >
DB01762 >
EXPT00381;DB04025 >
实验>
乙酰乙酸>
3-ketobutanoic酸;3-Ketobutyric酸;3-Oxobutanoic酸;3-Oxobutyric酸;beta-Ketobutyric酸$ $ $ $