1060 oechem - 10051719083 d 0999 V2000型9 0 0 0 0 0 0 -1.4581 -0.9961 0.0082 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0591 -1.3165 -0.0143 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 1.2825 -0.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7111 -0.1452 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6443 1.0273 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7624 0.1480 0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4810 1.6386 -0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6775 0.6689 0.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4842 1.6204 0.9138 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4268 -0.8423 -0.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 1 1 6 0 0 10 0 0 1 1 0 0 0 0 2 4 2 0 0 0 0 3 5 6 2 0 0 0 0 4 1 1 0 0 0 0 4 6 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 1 9 0 0 0 0 M >结束
DB00119 >
drugbank >
PUBCHEM >
https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LCTONWCANYUPML-UHFFFAOYSA-N/SDF?record_type = 3 d >
CC (= O) C (O) = O >
InChI = 1 s / C3H4O3 c1-2 (4) 3 (5) 6 / h1H3 (H, 5, 6) >
LCTONWCANYUPML-UHFFFAOYSA-N >
C3H4O3 >
88.0621 >
88.016043994 >
3 >
10 >
-0.0011733657727232454 >
7.310505872988212 >
1 >
1 >
0 >
0 >
2-oxopropanoic酸>
-0.38 >
0.06587395333333337 >
0.18 >
0 >
1 >
0 >
1 >
2.93012330309767 >
-9.583170381128017 >
54.37 >
17.9897 >
1 >
1 >
1.34 e + 2 g / l >
丙酮酸>
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