HMDB0241685 RDKit 3D 3-Hydroxyhept-4-enoylcarnitine 45 44 0 0 0 0 0 0 0 0999 V2000 6.1007 -0.8251 -0.7935 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5880 -0.3829 0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6820 0.7778 0.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4170 0.7062 0.7276 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8316 -0.4990 1.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8921 -1.5613 0.4667 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4082 -0.2216 1.7874 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6383 0.1314 0.5766 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 0.1529 -0.5236 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7089 0.4469 0.5885 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4163 0.7823 -0.6036 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8903 2.1959 -0.5819 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6136 2.6303 -1.7736 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8335 1.9785 -2.7989 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1268 3.9439 -1.7684 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.4270 -0.2641 -0.9162 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4478 -0.5579 -0.0168 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.7008 -0.7381 -0.7786 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2511 -1.8810 0.6124 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7610 0.3271 1.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5226 -1.6765 -1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0307 0.0259 -1.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1734 -1.0816 -0.6637 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4471 -0.0153 1.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1072 -1.2056 1.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1106 1.6574 -0.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7777 1.5856 0.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4644 -0.7792 2.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4302 -2.3634 0.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4359 0.6275 2.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0305 -1.1431 2.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6545 0.7210 -1.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4393 2.4782 0.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9775 2.8808 -0.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8069 -0.0962 -1.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8075 -1.2186 -1.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5575 -1.7163 -1.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5619 -0.8515 -0.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8056 0.0660 -1.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1505 -2.0700 1.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3722 -1.8557 1.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1615 -2.6641 -0.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9412 0.5974 1.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4073 1.2009 0.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4769 -0.2458 1.7197 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 11 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 17 20 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 0 4 27 1 0 5 28 1 0 6 29 1 0 7 30 1 0 7 31 1 0 11 32 1 0 12 33 1 0 12 34 1 0 16 35 1 0 16 36 1 0 18 37 1 0 18 38 1 0 18 39 1 0 19 40 1 0 19 41 1 0 19 42 1 0 20 43 1 0 20 44 1 0 20 45 1 0 M CHG 2 15 -1 17 1 M END