58 oechem 13 - 10051720373 d 12 0 0 0 0 0 0 0999 V2000型-0.3863 -1.4867 -0.0143 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0404 -0.7885 0.0063 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4358 1.4245 -0.0151 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3299 0.7615 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7090 0.1263 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2316 -0.2747 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1805 0.2377 0.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2179 1.3870 -0.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2164 1.3878 0.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8539 -0.5023 -0.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8505 -0.5036 0.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4844 0.8985 0.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9749 -0.4906 -0.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 6 2 0 0 0 0 2 1 0 0 0 0 2 13 1 0 0 0 0 3 7 2 0 0 0 0 4 5 1 1 0 0 0 0 4 6 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 11 10 1 0 0 0 0 5 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 M >结束
DB04553 >
drugbank >
PUBCHEM >
https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/TYEYBOSBBBHJIV-UHFFFAOYSA-N/SDF?record_type = 3 d >
CCC (= O) C (O) = O >
InChI = 1 s / C4H6O3 c1-2-3 (5) 4 (6) 7 / h2H2 1 h3 (H、6、7) >
TYEYBOSBBBHJIV-UHFFFAOYSA-N >
C4H6O3 >
102.0886 >
102.031694058 >
3 >
13 >
-0.9998462255456863 >
9.1994455800129 >
1 >
1 >
0 >
0 >
2-oxobutanoic酸>
0.07 >
0.7664098003333332 >
-0.11 >
0 >
1 >
0 >
1 >
3.1869864284881575 >
-9.650960797412663 >
54.37 >
22.616600000000002 >
2 >
1 >
7.92 e + 1 g / l >
生物素>
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