HMDB0241796 RDKit 3D 4-Hydroxy-5-[3-(sulfooxy)phenyl]pentanoylcarnitine 56 56 0 0 0 0 0 0 0 0999 V2000 -6.5320 -0.9258 0.9026 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8501 0.0478 0.0029 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.6056 -0.0006 -1.2256 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9752 1.3075 0.6772 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5101 -0.3617 -0.2304 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5029 0.7225 -0.4644 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6709 1.4635 -1.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5397 0.5523 -2.9277 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5982 -0.2934 -2.9168 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3941 0.5734 -4.0221 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.2301 0.0355 -0.6174 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 0.3240 0.2518 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4485 1.2059 1.1419 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1504 -0.3279 0.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0263 0.2168 1.3201 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3878 -0.3927 1.3571 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1692 0.1423 2.3929 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0950 -0.1177 0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4395 -0.7407 0.1402 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5605 -2.0585 -0.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8282 -2.6247 -0.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8924 -1.8782 0.2615 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7470 -0.5595 0.6282 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8275 0.2332 1.0661 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7080 1.0486 -0.1835 S 0 0 0 0 0 6 0 0 0 0 0 0 9.7883 0.1472 -0.6820 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2592 2.3130 0.3944 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6633 1.3422 -1.4451 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4918 0.0371 0.5711 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1636 -0.8079 1.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6180 -0.8370 0.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2373 -1.9316 0.5758 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5844 0.8959 -1.8395 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3307 -0.9384 -1.7827 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6971 -0.1264 -0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3650 1.2574 1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0436 1.3881 1.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7813 2.2016 0.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4089 -1.1026 -1.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1630 -0.9012 0.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4788 1.4283 0.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7769 2.1722 -1.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5634 2.0602 -1.8815 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0458 -1.4078 0.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6209 -0.0614 -0.7723 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5097 -0.0617 2.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0504 1.3205 1.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3318 -1.4945 1.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3349 1.1144 2.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1577 0.9683 -0.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5870 -0.5833 -0.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7071 -2.6279 -0.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9231 -3.6692 -0.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8721 -2.3341 0.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7655 1.5643 -1.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3248 1.0822 0.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 6 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 2 0 25 28 1 0 23 29 2 0 29 19 1 0 1 30 1 0 1 31 1 0 1 32 1 0 3 33 1 0 3 34 1 0 3 35 1 0 4 36 1 0 4 37 1 0 4 38 1 0 5 39 1 0 5 40 1 0 6 41 1 0 7 42 1 0 7 43 1 0 14 44 1 0 14 45 1 0 15 46 1 0 15 47 1 0 16 48 1 0 17 49 1 0 18 50 1 0 18 51 1 0 20 52 1 0 21 53 1 0 22 54 1 0 28 55 1 0 29 56 1 0 M CHG 2 2 1 10 -1 M END