HMDB0249455 RDKit 3D Butanedioic acid, octenyl- 36 35 0 0 0 0 0 0 0 0999 V2000 -4.9933 1.2623 1.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1957 1.2002 0.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2551 0.0457 -0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9537 -0.6981 -0.9622 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4835 -1.2259 0.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2048 -1.9977 0.2619 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0659 -1.1834 -0.3009 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1987 0.0006 0.5745 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2582 0.8064 0.1006 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5622 0.3425 -0.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7692 -0.8531 0.2651 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5673 1.2873 -0.5567 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9657 0.7825 -0.6053 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4861 0.4241 0.7311 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1026 -0.6058 1.3181 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4272 1.2757 1.3259 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7019 0.4686 1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9705 2.1019 1.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5043 2.0022 -0.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0190 -0.7023 -0.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5667 0.3621 -1.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1455 -1.5153 -1.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2249 0.0487 -1.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3923 -0.3697 1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2840 -1.9415 0.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9638 -2.3782 1.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3561 -2.8386 -0.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8084 -1.8339 -0.4799 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3981 -0.8719 -1.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -0.2867 1.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6972 0.6511 0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2815 1.5107 -1.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5263 2.2656 -0.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6470 1.5478 -1.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0087 -0.0802 -1.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4127 0.9961 1.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 7 28 1 0 7 29 1 0 8 30 1 0 8 31 1 0 12 32 1 0 12 33 1 0 13 34 1 0 13 35 1 0 16 36 1 0 M END