HMDB0013333 RDKit 3D 3-Hydroxy-9-hexadecenoylcarnitine 72 71 0 0 0 0 0 0 0 0999 V2000 8.1964 1.9120 -0.2813 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7247 0.5222 -0.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4625 -0.2607 -1.5351 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1238 -0.5461 -2.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1589 -1.3169 -1.2302 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6633 -0.6814 0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9379 0.5611 -0.2705 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6852 0.7476 0.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8489 -0.2335 0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3753 0.3382 2.0552 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5855 1.5624 1.8449 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3532 1.4696 1.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7987 0.6942 1.5578 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7562 -0.7596 1.7534 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4660 -1.3456 0.4967 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1835 -1.2632 2.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0451 -0.9982 0.9019 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5343 -0.5870 -0.1680 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4386 -1.2053 0.9854 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2156 -0.9226 -0.1802 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7108 -2.2902 -0.6556 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4973 -3.0929 -0.9555 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8136 -3.6874 -0.0742 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0945 -3.1928 -2.2802 O 0 0 0 0 0 1 0 0 0 0 0 0 -6.3065 -0.0122 0.2542 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2398 0.4292 -0.7229 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.6055 1.8356 -0.5283 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4975 -0.3048 -0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9001 0.2434 -2.0902 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3943 2.0674 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9916 2.6257 -0.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8497 2.1651 -1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6682 -0.0475 0.6305 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8928 0.6862 -0.3576 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9949 -1.2854 -1.4623 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0481 0.2060 -2.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2023 -1.1163 -3.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5811 0.3911 -2.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2783 -1.5827 -1.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6275 -2.3158 -0.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5248 -0.4721 0.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0687 -1.4276 0.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4907 1.3695 -0.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1957 1.7112 -0.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9004 -0.3294 0.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2086 -1.2511 0.8159 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3461 0.6299 2.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9585 -0.4647 2.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2418 2.3989 1.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3415 2.0610 2.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5939 1.1985 -0.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0696 2.5389 0.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6906 1.0301 0.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0424 1.1657 2.5965 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0621 -1.1824 2.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0046 -2.2009 0.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0832 -2.3571 2.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5521 -0.7310 2.9703 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5360 -0.5442 -0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3370 -2.7728 0.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3175 -2.2356 -1.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8446 -0.4945 1.1172 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8110 0.9116 0.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5720 1.9795 -1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8695 2.5064 -1.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7467 2.0762 0.5253 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2120 -1.3700 -0.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2650 -0.0891 -1.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8103 0.0149 0.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5891 -0.4977 -2.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1553 1.2007 -2.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8500 0.0580 -2.3215 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 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 20 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 26 29 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 2 34 1 0 3 35 1 0 3 36 1 0 4 37 1 0 4 38 1 0 5 39 1 0 5 40 1 0 6 41 1 0 6 42 1 0 7 43 1 0 8 44 1 0 9 45 1 0 9 46 1 0 10 47 1 0 10 48 1 0 11 49 1 0 11 50 1 0 12 51 1 0 12 52 1 0 13 53 1 0 13 54 1 0 14 55 1 0 15 56 1 0 16 57 1 0 16 58 1 0 20 59 1 6 21 60 1 0 21 61 1 0 25 62 1 0 25 63 1 0 27 64 1 0 27 65 1 0 27 66 1 0 28 67 1 0 28 68 1 0 28 69 1 0 29 70 1 0 29 71 1 0 29 72 1 0 M CHG 2 24 -1 26 1 M END