HMDB0032306 RDKit 3D Diethyl oxalpropionate 28 27 0 0 0 0 0 0 0 0999 V2000 -4.8032 -0.4397 0.3207 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2495 -0.0950 -1.0436 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8922 -0.4833 -1.1588 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9269 0.0244 -0.3198 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3003 0.8483 0.5543 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5142 -0.3562 -0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1049 -1.1743 -1.2702 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4754 0.2295 0.5247 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4482 1.7293 0.3204 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8088 -0.3565 0.3163 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9689 -1.2294 -0.5668 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9207 0.0034 1.0495 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1740 -0.6039 0.7931 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6143 -0.3511 -0.6362 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4944 -1.3060 0.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3931 0.4225 0.7479 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0007 -0.6804 1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8031 -0.7038 -1.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3837 0.9939 -1.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1163 0.0149 1.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0496 2.0052 -0.6844 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2483 2.1816 1.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4589 2.1793 0.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9367 -0.2311 1.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0378 -1.7043 0.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7937 0.1800 -1.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7622 -1.3424 -1.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5490 0.2451 -0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 8 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 8 20 1 0 9 21 1 0 9 22 1 0 9 23 1 0 13 24 1 0 13 25 1 0 14 26 1 0 14 27 1 0 14 28 1 0 M END