HMDB0038555 RDKit 3D (9S,10E,12S,13S)-9,12,13-Trihydroxy-10-octadecenoic acid 57 56 0 0 0 0 0 0 0 0999 V2000 7.6189 2.0475 -0.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5389 0.9762 -0.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2821 1.5436 0.3697 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1082 0.5926 0.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3654 -0.7052 0.9606 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2084 -1.6647 0.8588 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8700 -2.0006 -0.4442 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0155 -1.2944 1.6884 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 -2.4486 1.6972 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2361 -0.1551 1.1823 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6529 -0.1906 -0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 0.9447 -0.5528 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7793 1.6427 0.4740 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2309 0.4185 -1.4999 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 -0.5191 -0.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2183 -1.0545 -1.6111 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1405 -1.9946 -0.8917 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8072 -1.2879 0.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6129 -0.1019 -0.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2560 0.5440 1.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0527 1.7123 0.5719 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4993 2.7880 0.2402 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4316 1.6403 0.5116 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4141 1.9715 -0.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1189 3.0290 -0.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9807 2.0342 0.9877 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4152 0.8688 -1.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8461 0.0143 0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0170 2.4526 -0.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4164 1.8295 1.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2786 1.1141 0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7482 0.4702 -0.7707 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2854 -1.2178 0.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5425 -0.5521 2.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6065 -2.6363 1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5015 -1.6407 -1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3010 -1.1113 2.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2762 -2.2075 1.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1307 0.7341 1.7868 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7407 -1.0705 -0.6291 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4827 1.6087 -1.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8156 1.0440 1.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8470 1.2694 -1.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8176 -0.0745 -2.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6140 0.0665 0.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5229 -1.3504 -0.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8342 -0.2520 -2.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7538 -1.6399 -2.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5325 -2.8254 -0.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9111 -2.3815 -1.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5698 -1.9802 0.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0522 -0.9935 1.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9755 0.6706 -0.6937 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3901 -0.4619 -0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8662 -0.1893 1.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4115 0.9318 1.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9609 1.0424 -0.0912 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 6 8 1 0 8 9 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 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 6 35 1 0 7 36 1 0 8 37 1 0 9 38 1 0 10 39 1 0 11 40 1 0 12 41 1 0 13 42 1 0 14 43 1 0 14 44 1 0 15 45 1 0 15 46 1 0 16 47 1 0 16 48 1 0 17 49 1 0 17 50 1 0 18 51 1 0 18 52 1 0 19 53 1 0 19 54 1 0 20 55 1 0 20 56 1 0 23 57 1 0 M END