HMDB0241726 RDKit 3D 3-Hydroxyocta-2,4-dienoylcarnitine 46 45 0 0 0 0 0 0 0 0999 V2000 7.7093 -0.0233 -0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5338 0.4953 -0.8623 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4572 1.0640 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9460 0.0661 0.9879 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7475 -0.3830 1.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5829 0.0184 0.3827 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6715 0.9660 -0.6095 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3762 -0.5377 0.6445 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2003 -0.1513 -0.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2483 0.7191 -1.0165 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0109 -0.7265 0.1851 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2078 -0.3949 -0.5026 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6560 -1.6255 -1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 -2.7689 -0.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8032 -2.7440 0.9178 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3489 -3.9539 -0.9134 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.1675 0.1751 0.4689 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4391 0.5798 -0.0299 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.4308 1.1957 -1.3169 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4369 -0.4765 -0.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9498 1.5664 0.9415 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4285 -0.9710 0.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5549 -0.1323 -0.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9822 0.7369 0.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9059 1.3325 -1.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1194 -0.3238 -1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7323 1.5502 -0.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9290 1.8969 0.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7060 -0.3891 1.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5837 -1.1602 1.9235 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6653 0.7124 -1.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3175 -1.2704 1.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9672 0.3727 -1.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 -1.9468 -1.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4796 -1.4773 -1.9409 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3493 -0.4772 1.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6743 1.0936 0.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1981 2.0152 -1.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4757 1.7062 -1.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7797 0.5203 -2.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4436 -0.0937 0.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6206 -0.8594 -1.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1946 -1.2808 0.6895 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0710 2.2058 1.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2467 0.9960 1.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7392 2.1827 0.4938 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 2 3 5 6 1 0 6 7 1 0 6 8 2 3 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 12 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 18 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 5 30 1 0 7 31 1 0 8 32 1 0 12 33 1 0 13 34 1 0 13 35 1 0 17 36 1 0 17 37 1 0 19 38 1 0 19 39 1 0 19 40 1 0 20 41 1 0 20 42 1 0 20 43 1 0 21 44 1 0 21 45 1 0 21 46 1 0 M CHG 2 16 -1 18 1 M END