444266 oechem 11 - 02212113293 d 12 0 0 0 0 0 0 0999 V2000型1.8166 -0.3326 1.1897 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7358 -0.0859 0.0215 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8573 -0.4747 -1.0807 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7986 -1.2906 0.0077 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 1.2264 -0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7761 1.1186 -0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4679 0.0629 -0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3895 -0.2241 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 2.2034 -0.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4105 1.9971 -0.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4203 -1.1057 1.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1938 -0.9532 0.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 3 7 2 0 0 0 0 4 8 2 0 0 0 0 5 6 2 0 0 0 0 5 7 1 9 0 0 0 0 5 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 M >结束
DB04299 >
drugbank >
PUBCHEM >
https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VZCYOOQTPOCHFL-UPHRSURJSA-N/SDF?record_type = 3 d >
OC (= O) \ C = C / C O (O) = >
InChI = 1 s / C4H4O4 c5-3 (6) 1-2-4 (7) 8 / h1-2H (H, 5, 6) (H, 7, 8) / b2-1 - >
VZCYOOQTPOCHFL-UPHRSURJSA-N >
C4H4O4 >
116.0722 >
116.010958616 >
4 >
12 >
-1.9743910065498849 >
9.189331551052174 >
1 >
2 >
0 >
0 >
(2 z) -but-2-enedioic酸>
-0.040914331333333324 >
0 >
2 >
0 >
2 >
5.72044089354492 >
2.853688175816198 >
74.6 >
24.606999999999996 >
2 >
1 >
N-demethyldiltiazem >
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