HMDB0030963 RDKit 3D Punicic acid 50 49 0 0 0 0 0 0 0 0999 V2000 -8.3297 -2.2439 -0.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3396 -1.5723 -1.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8122 -0.2949 -0.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8465 0.3321 -1.4014 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7081 -0.5768 -1.6823 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4479 -0.1862 -1.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3696 -1.0870 -1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1129 -0.8031 -1.4483 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7293 0.4737 -0.8716 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5342 0.7943 -0.6195 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0112 2.0390 -0.0479 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7597 1.9266 1.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9809 1.0441 0.9706 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8054 0.8709 2.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9959 0.0042 1.9488 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9246 0.5343 0.9057 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0760 -0.4684 0.7577 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0368 -0.0003 -0.2662 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8797 1.0599 -0.8826 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1441 -0.7900 -0.5298 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2687 -3.3276 -0.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1228 -1.9427 0.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3644 -1.9018 -0.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8632 -1.4027 -1.9737 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5110 -2.2663 -1.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2489 -0.5739 0.5165 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6250 0.4076 -0.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5030 1.3080 -1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3989 0.4770 -2.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8419 -1.5571 -2.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3601 0.7843 -0.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5714 -2.0680 -2.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3381 -1.5604 -1.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4612 1.1901 -0.6352 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2707 0.0412 -0.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1071 2.6851 0.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5837 2.6001 -0.8137 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1991 1.5177 2.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1730 2.9055 1.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6509 1.5433 0.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7175 0.0673 0.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1698 1.8403 2.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2305 0.3983 3.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6950 -1.0316 1.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5450 -0.1297 2.9093 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4186 0.5834 -0.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3344 1.5204 1.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6624 -1.4402 0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5481 -0.6280 1.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7204 -1.0959 0.2513 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 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 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 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 6 31 1 0 7 32 1 0 8 33 1 0 9 34 1 0 10 35 1 0 11 36 1 0 11 37 1 0 12 38 1 0 12 39 1 0 13 40 1 0 13 41 1 0 14 42 1 0 14 43 1 0 15 44 1 0 15 45 1 0 16 46 1 0 16 47 1 0 17 48 1 0 17 49 1 0 20 50 1 0 M END