HMDB0030945 RDKit 3D Methyl 2-undecynoate 34 33 0 0 0 0 0 0 0 0999 V2000 4.6309 0.5847 1.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8313 1.3982 0.3798 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9568 0.5048 -0.4913 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -0.2366 0.4326 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 -1.1555 -0.3624 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3344 -0.3690 -1.3358 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5816 -1.2887 -2.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5275 -2.0450 -1.2647 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3991 -1.1347 -0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1176 -0.4076 0.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9905 0.4462 0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5795 0.9080 2.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2580 0.7802 0.5259 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1424 1.6101 1.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6852 0.9602 1.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6300 -0.4961 1.1224 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2253 0.7005 2.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1867 2.1011 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5039 2.0114 -0.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5389 -0.1568 -1.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3359 1.1884 -1.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6052 -0.7886 1.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3535 0.5130 0.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4873 -1.7611 0.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8333 -1.8156 -0.9538 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2165 0.4769 -0.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0295 0.0628 -2.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1509 -0.7134 -2.8719 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0513 -2.0071 -2.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1571 -2.6727 -1.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0715 -2.7443 -0.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2633 2.5535 0.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7852 1.8443 2.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1732 1.1486 1.2608 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 1 0 7 8 1 0 8 9 1 0 9 10 3 0 10 11 1 0 11 12 2 0 11 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 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 14 32 1 0 14 33 1 0 14 34 1 0 M END