HMDB0290051 RDKit 3D Cer(d18:2(4E,14Z)/20:4(5Z,8Z,11Z,14Z)-OH(17)) 108107 0 0 0 0 0 0 0 0999 V2000 -11.9949 0.8484 3.3134 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4522 1.2045 1.9118 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2190 1.2069 0.9923 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5438 1.5395 -0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3420 0.7692 -1.4567 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7462 -0.5621 -1.3666 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4644 -0.6119 -2.1656 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8010 -1.9614 -2.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4435 -2.3839 -0.7382 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7754 -3.6959 -0.5924 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4747 -3.8896 -1.2677 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3904 -2.9562 -0.8638 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0806 -3.0122 0.6184 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9733 -2.0578 0.9651 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1347 -1.0487 1.8026 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1467 -0.0645 2.2138 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0862 -0.5467 2.9721 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6841 0.9214 1.1945 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8841 1.4704 0.4223 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4546 0.5222 -0.3910 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6638 0.4629 0.2885 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4935 1.2382 0.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 2.3642 0.6106 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5482 0.7324 -0.8892 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5053 1.8773 -1.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6698 1.4893 -2.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4685 2.6931 -2.2613 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7007 2.8558 -1.8738 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4431 1.8179 -1.1419 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9238 2.2980 0.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1609 2.4025 0.4924 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3313 2.1007 -0.2938 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3000 1.6288 -1.6384 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7742 0.5002 -2.0866 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4454 -0.5014 -1.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8355 -0.6775 -1.7358 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9003 -0.4285 -1.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9619 0.0536 0.3813 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7865 -0.9070 1.1941 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0604 -0.9439 0.5890 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1518 -2.2417 1.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8346 -2.1467 2.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1444 -1.5599 3.4176 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0615 -0.2248 3.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5729 1.3923 4.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9355 1.1571 3.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2167 0.4841 1.5692 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8055 2.2525 1.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6102 2.0839 1.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7195 0.2606 1.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0049 2.5380 -0.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6377 1.1606 -2.4214 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6828 -0.9354 -0.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4308 -1.3007 -1.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7662 0.2033 -1.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7383 -0.4030 -3.2378 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4550 -2.6633 -2.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8452 -1.8547 -2.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4142 -2.4608 -0.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9065 -1.5502 -0.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4851 -4.4686 -1.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7067 -3.9634 0.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5531 -3.8438 -2.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1453 -4.9423 -1.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4554 -3.2737 -1.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5959 -1.9202 -1.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9840 -2.6470 1.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7375 -4.0008 0.9385 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0045 -2.2122 0.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1714 -0.9907 2.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6879 0.6173 2.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3668 -0.8073 2.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2789 1.8203 1.7289 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5646 2.3600 -0.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6319 1.7918 1.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4321 0.8646 -1.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7571 -0.4235 -0.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1473 -0.0202 -0.3057 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1475 0.3137 -1.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9089 2.6370 -1.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8021 2.3673 -0.2261 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1506 0.5587 -1.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1458 1.2754 -3.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9776 3.5432 -2.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1708 3.8331 -2.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5869 1.0853 -0.7936 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0493 1.1331 -1.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1547 2.6007 0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3515 2.7902 1.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0590 3.0357 -0.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9731 1.3934 0.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8513 2.2965 -2.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6859 0.2514 -3.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9008 -1.4802 -1.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3448 -0.3263 -0.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9581 -1.0363 -2.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8691 -0.6090 -1.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5281 1.0366 0.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9745 0.1518 0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9090 -0.4220 2.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4540 -0.0203 0.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8401 -2.9567 1.8553 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9589 -2.7262 0.3273 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0881 -1.5101 1.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3959 -3.1670 2.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3777 -1.9167 4.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1656 -1.8903 3.6872 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1244 -0.4403 3.2924 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 0 5 6 1 0 6 7 1 0 7 8 1 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 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 18 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 42 43 1 0 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 0 2 48 1 0 3 49 1 0 3 50 1 0 4 51 1 0 5 52 1 0 6 53 1 0 6 54 1 0 7 55 1 0 7 56 1 0 8 57 1 0 8 58 1 0 9 59 1 0 9 60 1 0 10 61 1 0 10 62 1 0 11 63 1 0 11 64 1 0 12 65 1 0 12 66 1 0 13 67 1 0 13 68 1 0 14 69 1 0 15 70 1 0 16 71 1 1 17 72 1 0 18 73 1 1 19 74 1 0 19 75 1 0 20 76 1 0 21 77 1 0 24 78 1 0 24 79 1 0 25 80 1 0 25 81 1 0 26 82 1 0 26 83 1 0 27 84 1 0 28 85 1 0 29 86 1 0 29 87 1 0 30 88 1 0 31 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 43108 1 0 M END