HMDB0059840 RDKit 3D (E)-2-Ethyl heptenoate 27 26 0 0 0 0 0 0 0 0999 V2000 2.9248 -0.5748 -1.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6074 0.8558 -0.8035 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8206 1.1128 0.6714 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9236 0.2086 1.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5094 0.4550 1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2739 -0.5002 0.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6872 -0.2568 0.4005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2171 0.8694 0.5651 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5036 -1.2599 -0.0945 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8645 -1.0665 -0.4096 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0746 -0.0172 -1.4653 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2077 -1.2968 -0.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -0.8431 -0.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8876 -0.6651 -2.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5599 1.0488 -1.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2926 1.4968 -1.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6766 2.1688 0.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8762 0.8183 0.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1613 0.3556 2.5773 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1659 -0.8403 1.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1035 1.4314 1.3462 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1759 -1.4712 0.5722 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4704 -0.7782 0.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2597 -2.0550 -0.7379 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1267 0.3214 -1.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5540 0.8990 -1.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7906 -0.4163 -2.2167 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 2 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 6 22 1 0 10 23 1 0 10 24 1 0 11 25 1 0 11 26 1 0 11 27 1 0 M END