HMDB0038601 RDKit 3D Diethyl fumarate 24 23 0 0 0 0 0 0 0 0999 V2000 3.6524 1.2052 -0.3072 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6587 -0.1879 -0.9369 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7978 -1.0553 -0.2182 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4066 -0.7493 -0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0981 0.2886 -0.6600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6017 -1.6826 0.6505 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6568 -1.5628 0.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4515 -0.4621 0.3659 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1013 0.5150 -0.3049 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8458 -0.4519 0.6684 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6614 0.6105 0.2037 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6111 0.6689 -1.3271 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6728 1.6422 -0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 1.0873 0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9895 1.8850 -0.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6764 -0.5798 -0.7488 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4879 -0.1734 -2.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0794 -2.5942 1.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1555 -2.3701 1.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4412 1.5794 0.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7085 0.3516 0.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3270 -0.3489 -1.6558 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8389 1.4250 -1.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6018 0.9597 -1.7307 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 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 2 17 1 0 6 18 1 0 7 19 1 0 11 20 1 0 11 21 1 0 12 22 1 0 12 23 1 0 12 24 1 0 M END