Mrv1909 02212118292 d 999 V2000型7 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 1 0 0 0 0 1 4 2 0 0 0 0 2 5 2 0 0 0 0 5 6 6 7 1 1 0 0 0 0 0 0 0 0 6 8 2 0 0 0 0 M >结束 DB04299 > drugbank > 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 > 0 > DB04299 > EXPT02106 > 实验> 顺丁烯二酸> (Z) 2-butenedioic酸;(Z) -butenedioic酸;cis-1 2-ethylenedicarboxylic酸;cis-but-2-enedioic酸;cis-Butenedioic酸;顺丁烯二酸;Toxilic酸$ $ $ $
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