HMDB0012869 RDKit 3D 9'-Carboxy-gamma-tocotrienol 59 60 0 0 0 0 0 0 0 0999 V2000 2.6342 2.7155 -2.6735 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5882 1.7451 -1.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4276 1.1633 -1.1969 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2284 1.5440 -1.9419 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7925 2.2218 -1.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4323 1.4434 -0.0689 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4400 2.4094 0.6262 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6454 0.7513 0.9739 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6441 0.3618 2.0864 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7465 -0.4399 1.4749 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5005 -1.2264 2.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5480 -2.0014 1.7741 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3140 -2.8024 2.6098 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8380 -1.9826 0.4268 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9453 -2.7974 -0.1376 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0604 -1.1771 -0.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3218 -1.1163 -1.8219 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0212 -0.4091 0.1316 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2406 0.4006 -0.6857 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8232 1.3865 -0.8412 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5803 0.3746 0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8934 0.1120 0.8981 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4098 -1.0980 0.9118 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6149 -2.1808 0.2572 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7102 -1.3856 1.5399 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3097 -0.4153 2.0667 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2344 -2.6646 1.5428 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9334 3.5728 -2.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3982 2.2250 -3.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6534 3.1367 -2.7756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 0.4587 -0.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5123 2.1450 -2.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1912 0.5842 -2.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6372 2.5553 -1.8324 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4130 3.2308 -0.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2975 1.8704 1.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8368 2.9385 1.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7181 3.1649 -0.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1865 1.2720 1.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3668 -0.2735 0.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0752 -0.1974 2.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0561 1.2769 2.5328 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3475 -1.3050 3.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0569 -3.3532 2.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9361 -2.3753 0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9099 -3.8322 0.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9640 -2.7956 -1.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3277 -2.1570 -2.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5008 -0.5948 -2.3544 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2606 -0.5830 -2.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5734 0.9133 -1.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2392 2.3072 -0.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8655 0.7421 1.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1856 -0.5588 -0.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 0.9457 1.3501 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1912 -3.1231 0.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6512 -2.2562 0.8003 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4862 -2.0110 -0.8279 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2174 -2.8558 1.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 6 5 1 6 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 2 0 18 19 1 0 2 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 2 0 25 27 1 0 19 6 1 0 18 10 1 0 1 28 1 0 1 29 1 0 1 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 7 36 1 0 7 37 1 0 7 38 1 0 8 39 1 0 8 40 1 0 9 41 1 0 9 42 1 0 11 43 1 0 13 44 1 0 15 45 1 0 15 46 1 0 15 47 1 0 17 48 1 0 17 49 1 0 17 50 1 0 20 51 1 0 20 52 1 0 21 53 1 0 21 54 1 0 22 55 1 0 24 56 1 0 24 57 1 0 24 58 1 0 27 59 1 0 M END