HMDB0304545 RDKit 3D delta-9-tetrahydrocannabinolate 55 57 0 0 0 0 0 0 0 0999 V2000 6.5959 0.0237 -1.7884 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5173 1.1173 -0.7472 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5360 0.7773 0.3469 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1384 0.5815 -0.2131 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2287 0.2498 0.9216 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8046 0.0253 0.5164 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8997 1.0643 0.6493 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4172 0.8880 0.2724 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8115 -0.3569 -0.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0719 -1.3295 -0.3587 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3433 -2.5663 -0.8764 O 0 0 0 0 0 1 0 0 0 0 0 0 1.4144 -1.1860 0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2967 -2.3314 -0.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8989 -2.4893 -1.2253 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4857 -3.2545 0.8685 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2296 -0.5935 -0.6785 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9015 -1.6060 0.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1941 -1.6413 0.4424 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7666 -2.6852 1.3336 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1020 -0.6654 -0.1571 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4441 0.2836 -1.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0429 0.5881 -0.9642 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7359 1.8464 0.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8267 1.4296 0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3659 3.1494 -0.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3055 1.9803 0.4285 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5450 -0.9486 -1.2462 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5768 0.1333 -2.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7980 0.1128 -2.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2353 2.0820 -1.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5151 1.1991 -0.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8709 -0.1015 0.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4946 1.6346 1.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8056 1.5968 -0.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1181 -0.1630 -1.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5367 -0.6965 1.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2155 1.0669 1.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1931 2.0181 1.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0744 -3.1756 1.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1116 -1.1280 -1.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2680 -2.3365 0.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5595 -2.2863 2.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2030 -3.5064 0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0253 -3.1710 1.9789 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7233 -0.0988 0.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8619 -1.2370 -0.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0647 1.2211 -1.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5163 -0.1883 -2.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7005 1.0209 -1.9173 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9114 1.4035 0.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5770 0.6560 1.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1569 1.2305 -0.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8559 3.0502 -1.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2054 3.4306 0.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6400 3.8819 -0.2263 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 2 0 9 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 13 14 2 0 13 15 1 0 9 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 23 26 1 0 12 6 1 0 22 16 1 0 26 8 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 2 31 1 0 3 32 1 0 3 33 1 0 4 34 1 0 4 35 1 0 5 36 1 0 5 37 1 0 7 38 1 0 15 39 1 0 16 40 1 0 17 41 1 0 19 42 1 0 19 43 1 0 19 44 1 0 20 45 1 0 20 46 1 0 21 47 1 0 21 48 1 0 22 49 1 6 24 50 1 0 24 51 1 0 24 52 1 0 25 53 1 0 25 54 1 0 25 55 1 0 M CHG 1 11 -1 M END