HMDB0001568 RDKit 3D trans-2-Octenoic acid 24 23 0 0 0 0 0 0 0 0999 V2000 -2.3082 1.6495 0.8152 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7994 0.2082 0.6853 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4784 -0.0159 -0.7536 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9659 -1.3729 -1.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3058 -1.7317 -0.3513 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4181 -0.7958 -0.6749 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0210 -0.0770 0.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1024 0.8169 -0.1494 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4440 0.8913 -1.3546 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7863 1.6067 0.7650 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3591 1.6951 0.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6962 2.3209 0.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 1.9673 1.8848 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8876 0.0915 1.3104 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6088 -0.4781 1.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7176 0.7378 -1.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4051 0.1485 -1.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7047 -2.1638 -0.8452 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7460 -1.4155 -2.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6459 -2.7380 -0.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2002 -1.7516 0.7406 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7022 -0.7449 -1.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7011 -0.1640 1.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6538 1.3158 1.2011 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 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 1 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 2 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 6 22 1 0 7 23 1 0 10 24 1 0 M END