HMDB0029207 RDKit 3D LysoPC(6:0/0:0) 53 52 0 0 0 0 0 0 0 0999 V2000 8.3707 -0.4109 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0896 -0.1663 -0.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0733 -1.1621 -0.7831 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7852 -1.0537 -0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1778 0.3269 -0.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9033 0.3166 0.5417 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9141 0.0363 1.7677 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6817 0.6021 -0.0238 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4460 0.6039 0.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4101 0.9364 -0.4178 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5362 -0.1007 -1.3701 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9785 0.8655 0.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2734 1.8302 1.0646 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8600 1.6990 1.6193 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.5150 3.0626 1.6238 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8284 1.1355 3.1952 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.6871 0.6856 0.5611 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5444 1.3763 -0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2143 0.3478 -1.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9706 -0.6338 -0.4351 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.5964 -0.0411 0.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1231 -1.7526 -0.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0170 -1.1299 -1.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3688 0.0211 1.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5812 0.0720 1.8137 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3600 -1.5052 1.4013 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8059 0.8752 -0.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0398 -0.3755 -0.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4692 -2.2017 -0.6736 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8587 -0.9632 -1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9778 -1.2576 1.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0829 -1.8490 -0.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8540 1.1260 0.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0125 0.4602 -1.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1745 -0.3371 1.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 1.3903 1.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 1.8883 -0.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3259 -0.5086 -1.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6840 0.8489 -0.7284 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0714 -0.1229 0.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3070 1.9803 0.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9991 2.0711 -0.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4598 -0.2178 -1.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8838 0.8467 -1.9073 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1188 -0.8464 1.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2731 0.7622 0.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8332 0.3887 1.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4333 -2.6810 -0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0615 -1.5856 -0.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1926 -1.9586 0.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5745 -1.6929 -2.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7207 -1.7599 -0.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5174 -0.2414 -1.7708 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 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 14 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 20 23 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 9 35 1 0 9 36 1 0 10 37 1 6 11 38 1 0 12 39 1 0 12 40 1 0 18 41 1 0 18 42 1 0 19 43 1 0 19 44 1 0 21 45 1 0 21 46 1 0 21 47 1 0 22 48 1 0 22 49 1 0 22 50 1 0 23 51 1 0 23 52 1 0 23 53 1 0 M CHG 2 16 -1 20 1 M END