HMDB0043429 RDKit 3D TG(15:0/18:3(6Z,9Z,12Z)/24:0) 176175 0 0 0 0 0 0 0 0999 V2000 -8.0334 -4.2099 -3.3362 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4168 -3.5601 -2.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5184 -2.0737 -2.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3394 -1.2960 -2.4867 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0945 -1.3499 -1.6827 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4732 -2.6783 -1.6097 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2516 -3.4174 -0.5759 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5507 -3.1689 0.8204 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2327 -1.9702 1.2536 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7010 -1.0941 2.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3393 -1.2219 2.6445 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3746 -1.3605 4.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7997 -0.5649 4.9252 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0057 0.6221 4.5694 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6176 0.3532 5.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6354 1.4857 4.9692 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 0.9254 5.5572 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7785 1.7981 5.6743 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0353 2.2427 6.8666 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6458 2.2457 4.7079 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7354 3.0912 5.0323 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0397 2.4101 4.7234 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2355 2.1445 3.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4242 1.5080 3.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2356 1.1913 3.9490 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8571 1.1583 1.6542 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0129 1.7185 0.5559 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5120 1.3813 -0.8078 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5790 -0.0676 -1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2306 -0.7440 -1.1083 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4198 -2.2020 -1.4774 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0640 -2.9229 -1.4783 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3442 -4.3691 -1.8494 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0203 -5.0998 -1.8705 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1212 -6.5432 -2.2087 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9541 -7.3471 -1.2353 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4115 -7.3043 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2875 -8.1272 1.0595 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3918 -9.5676 0.6935 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6708 4.4732 4.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6455 4.6119 3.1104 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6711 4.2002 2.2021 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6749 3.6378 2.6561 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8873 4.4585 0.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9918 3.9061 -0.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9254 2.4442 -0.4436 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4915 1.5684 0.6843 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4249 0.0895 0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9070 -0.7956 1.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7681 -2.2125 1.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0633 -2.8523 -0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4984 -2.5891 -0.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1295 -1.3461 -0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1826 -0.9590 -1.9133 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0029 -0.7380 -2.7429 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3849 -0.4130 -4.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2281 0.8264 -4.3232 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5804 2.0744 -3.8109 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5584 3.2213 -4.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9548 4.5273 -3.5058 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9561 5.6469 -3.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4530 6.9618 -3.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9734 7.1387 -1.8574 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8246 6.9447 -0.6841 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4314 5.6244 -0.4055 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1890 5.7958 0.9443 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3194 -3.5993 -4.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5541 -5.1875 -3.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9394 -4.4783 -3.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8480 -3.9970 -1.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4889 -3.9175 -1.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9273 -1.7410 -1.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3485 -1.8599 -2.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0596 -1.6378 -3.5389 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6186 -0.2023 -2.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1350 -0.7992 -0.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3322 -0.7586 -2.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1345 -3.1190 -2.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7563 -4.4007 -0.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6888 -3.4317 1.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2569 -4.0793 1.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2722 -1.7688 0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2782 -0.1988 2.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8008 -0.2993 2.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7482 -2.0459 2.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9696 -2.2522 4.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9272 -0.8168 6.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3536 1.5390 5.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8980 0.8689 3.5288 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1978 -0.5292 4.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7347 0.0107 6.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9714 2.3277 5.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5354 1.7870 3.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3218 0.4792 6.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9339 -0.0054 4.9617 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7234 3.2273 6.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 1.3956 5.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9054 2.9186 5.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9252 1.4689 1.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8769 0.0436 1.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0203 2.8208 0.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9944 1.2854 0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5023 1.8924 -0.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8762 1.8658 -1.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9267 -0.1419 -2.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3203 -0.6321 -0.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5403 -0.2470 -1.8197 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7561 -0.6827 -0.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8801 -2.2776 -2.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0945 -2.6526 -0.7222 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4161 -2.4638 -2.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5952 -2.8334 -0.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7291 -4.3622 -2.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0564 -4.7579 -1.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4303 -4.6141 -2.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4206 -4.9529 -0.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5879 -6.6453 -3.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0993 -6.9680 -2.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0111 -7.0594 -1.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9155 -8.3963 -1.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4036 -7.7700 0.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3703 -6.2826 0.5814 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3257 -7.7048 1.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9237 -8.0892 2.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4484 -9.8323 0.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7982 -9.8608 -0.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1218 -10.2539 1.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8509 5.0728 4.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6049 4.9959 4.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9484 4.1177 0.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9587 5.5739 0.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0807 4.4530 -1.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9196 4.2082 0.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2354 2.2926 -1.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9720 2.1268 -0.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3197 1.5452 1.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5129 1.8159 1.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7099 0.1516 -0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4323 -0.1203 -0.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6389 -0.6646 2.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0454 -0.4005 1.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3465 -2.6409 2.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7897 -2.7197 1.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0162 -3.9836 0.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4182 -2.8703 -1.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9461 -3.4014 -0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9512 -2.9662 0.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7775 -0.4335 0.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2216 -1.4047 -0.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9736 -1.5880 -2.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7417 0.0630 -1.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4844 0.2219 -2.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3329 -1.6108 -2.7421 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4266 -0.2739 -4.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9498 -1.2977 -4.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1631 0.6544 -3.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6012 0.9582 -5.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6544 2.2800 -4.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4107 1.9465 -2.7031 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6903 3.3429 -5.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5128 3.0713 -3.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7022 4.3686 -2.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0052 4.7706 -4.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9034 5.3825 -3.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1257 5.6895 -4.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2787 7.7232 -3.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6598 7.2783 -3.9859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6094 8.2341 -1.8009 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9659 6.6071 -1.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6870 7.6972 -0.6758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2300 7.2519 0.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7418 4.7903 -0.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2815 5.4079 -1.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8064 4.9008 1.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8429 6.6708 0.8141 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4178 5.9479 1.7243 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 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 21 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 1 67 1 0 1 68 1 0 1 69 1 0 2 70 1 0 2 71 1 0 3 72 1 0 3 73 1 0 4 74 1 0 4 75 1 0 5 76 1 0 5 77 1 0 6 78 1 0 7 79 1 0 8 80 1 0 8 81 1 0 9 82 1 0 10 83 1 0 11 84 1 0 11 85 1 0 12 86 1 0 13 87 1 0 14 88 1 0 14 89 1 0 15 90 1 0 15 91 1 0 16 92 1 0 16 93 1 0 17 94 1 0 17 95 1 0 21 96 1 1 22 97 1 0 22 98 1 0 26 99 1 0 26100 1 0 27101 1 0 27102 1 0 28103 1 0 28104 1 0 29105 1 0 29106 1 0 30107 1 0 30108 1 0 31109 1 0 31110 1 0 32111 1 0 32112 1 0 33113 1 0 33114 1 0 34115 1 0 34116 1 0 35117 1 0 35118 1 0 36119 1 0 36120 1 0 37121 1 0 37122 1 0 38123 1 0 38124 1 0 39125 1 0 39126 1 0 39127 1 0 40128 1 0 40129 1 0 44130 1 0 44131 1 0 45132 1 0 45133 1 0 46134 1 0 46135 1 0 47136 1 0 47137 1 0 48138 1 0 48139 1 0 49140 1 0 49141 1 0 50142 1 0 50143 1 0 51144 1 0 51145 1 0 52146 1 0 52147 1 0 53148 1 0 53149 1 0 54150 1 0 54151 1 0 55152 1 0 55153 1 0 56154 1 0 56155 1 0 57156 1 0 57157 1 0 58158 1 0 58159 1 0 59160 1 0 59161 1 0 60162 1 0 60163 1 0 61164 1 0 61165 1 0 62166 1 0 62167 1 0 63168 1 0 63169 1 0 64170 1 0 64171 1 0 65172 1 0 65173 1 0 66174 1 0 66175 1 0 66176 1 0 M END