10430 oechem - 10051720213 d 17 16 0 0 0 0 0 0 0999 V2000型-1.5764 -0.8043 0.9946 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0917 0.7023 -0.6305 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1977 -0.1330 0.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0376 -0.4874 -0.6882 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1993 1.3697 0.5424 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5472 -0.5476 -0.3373 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3138 -0.0997 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0666 -0.6623 1.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0218 -1.5626 -0.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1619 0.0223 -1.6518 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2897 1.6811 1.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2781 1.9527 -0.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0472 1.6389 1.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7415 -0.0313 -1.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3646 -0.3128 0.3526 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5689 -1.6256 -0.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4562 -0.5827 1.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 17 1 0 0 0 0 2 7 2 0 0 0 0 3 4 1 5 0 0 0 0 3 1 0 0 0 0 3 1 6 0 0 0 0 3 1 0 0 0 0 4 7 8 1 0 0 0 0 4 9 1 0 0 0 0 4 11 10 1 0 0 0 0 5 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 M >结束
DB03750 >
drugbank >
PUBCHEM >
https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GWYFCOCPABKNJV-UHFFFAOYSA-N/SDF?record_type = 3 d >
CC (C) CC (O) = O >
InChI = 1 s / C5H10O2 c1-4 (2) 3 - 5 (6) 7 / h4H 3 h2, 1-2H3 (H、6、7) >
GWYFCOCPABKNJV-UHFFFAOYSA-N >
C5H10O2 >
102.1317 >
102.068079564 >
2 >
17日>
-0.9898653425438579 >
10.986666365215886 >
1 >
1 >
0 >
0 >
3-methylbutanoic酸>
1.26 >
1.208777894 >
-0.20 >
0 >
1 >
0 >
1 >
5.01023295557517 >
37.3 >
26.4202 >
2 >
1 >
6.49 e + 1 g / l >
生物素>
1 $ $ $ $