12587 oechem 19 - 02282013153 d 20 0 0 0 0 0 0 0999 V2000型2.6928 -1.0924 -0.1643 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2892 1.1165 0.1736 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0065 0.4043 0.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5139 0.7816 0.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4177 -0.4219 -0.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3494 -0.6025 1.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4036 -0.1653 -1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8737 -0.0204 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5839 1.3206 0.2596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3192 1.5061 -0.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2802 1.2991 1.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2506 -1.1495 0.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2623 -0.9057 -1.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9241 -1.5923 0.9915 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9896 -0.2543 2.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4356 -0.7262 1.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1219 0.5175 -2.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4895 -0.3037 -1.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9437 -1.1390 -1.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6395 -0.8387 -0.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 8 1 20 1 0 0 0 0 2 8 2 0 0 4 0 0 3 1 0 0 0 0 3 1 6 0 0 0 0 3 7 1 9 0 0 0 0 3 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 M >结束
DB03993 >
drugbank >
PUBCHEM >
https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FGKJLKRYENPLQH-UHFFFAOYSA-N/SDF?record_type = 3 d >
CC (C) CCC (O) = O >
InChI = 1 s / C6H12O2 c1-5 (2) 3-4-6 (7) 8 / h5H 3-4H2, 1-2H3 (H, 7, 8) >
FGKJLKRYENPLQH-UHFFFAOYSA-N >
C6H12O2 >
116.1583 >
116.083729628 >
2 >
20 >
-0.9878445734169554 >
13.062697113252494 >
1 >
1 >
0 >
0 >
4-methylpentanoic酸>
1.72 >
1.6533465589999996 >
-0.96 >
0 >
1 >
0 >
1 >
5.090081586138642 >
37.3 >
31.0212 >
3 >
1 >
1.29 e + 1 g / l >
4 ' -phosphopantetheine >
1 $ $ $ $