HMDB0062364 RDKit 3D (6S,8Z)-6-Hydroxy-3-oxotetradecenoic acid 42 41 0 0 0 0 0 0 0 0999 V2000 -6.4640 1.0579 0.9823 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6416 0.7313 -0.2206 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3994 -0.0423 0.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5598 -0.3833 -1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3100 -1.1537 -0.6225 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4232 -0.4213 0.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1417 -0.0828 0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5247 -0.4279 -1.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7149 -1.3188 -1.1810 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0687 -1.4812 -2.5904 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9880 -0.8581 -0.5873 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0287 -0.4608 0.8468 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4622 -0.1183 1.1879 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0752 -0.8397 1.9230 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0809 1.0889 0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7228 1.8783 1.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0360 2.5663 2.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0904 1.8625 1.8409 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3417 0.3465 1.8259 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1866 2.0799 1.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5598 1.0952 0.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2691 1.6390 -0.7528 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2114 0.0746 -0.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7504 0.5714 0.8785 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6370 -0.9832 0.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2072 -1.0074 -1.6814 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3023 0.5387 -1.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8859 -1.6010 -1.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6966 -2.0475 -0.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8122 -0.0940 1.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3358 0.4775 0.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2172 -0.7726 -2.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8994 0.5503 -1.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3808 -2.3186 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4036 -2.3881 -2.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7834 -1.6798 -0.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4088 -0.0477 -1.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6779 -1.2846 1.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4623 0.4985 1.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8706 0.8413 -0.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3485 1.7425 0.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6534 2.1721 1.0649 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 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 2 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 6 30 1 0 7 31 1 0 8 32 1 0 8 33 1 0 9 34 1 1 10 35 1 0 11 36 1 0 11 37 1 0 12 38 1 0 12 39 1 0 15 40 1 0 15 41 1 0 18 42 1 0 M END