HMDB0036688 RDKit 3D Costunolide 37 38 0 0 0 0 0 0 0 0999 V2000 -1.7849 3.3424 0.4628 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6464 2.4499 -0.4884 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7558 1.8982 -1.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9482 2.3121 -1.3205 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2485 0.8214 -1.9775 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9688 0.4432 -1.4451 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2236 -0.3478 -0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8454 -1.5937 -0.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2057 -2.2213 1.2548 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0979 -2.3205 -1.0708 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4077 -2.1968 -0.9086 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8053 -1.7274 0.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9128 -0.4404 0.7055 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3274 0.0125 2.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6285 0.5586 -0.3203 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 1.5815 0.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4315 1.7875 -1.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9056 3.6823 0.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7352 3.7522 0.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4273 -0.0093 -2.2568 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 0.1775 0.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4857 -1.4465 2.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1448 -2.7979 1.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4223 -2.9044 1.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4024 -3.4140 -1.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4390 -2.0183 -2.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8115 -3.2521 -1.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 -1.6868 -1.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0288 -2.4374 1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3713 -0.8258 2.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6710 0.8347 2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3564 0.4376 1.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3516 0.1913 -1.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 1.1532 -0.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0753 1.2763 1.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 2.5819 0.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0604 2.3462 -1.8063 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 2 1 0 17 6 1 0 1 18 1 0 1 19 1 0 6 20 1 0 7 21 1 0 9 22 1 0 9 23 1 0 9 24 1 0 10 25 1 0 10 26 1 0 11 27 1 0 11 28 1 0 12 29 1 0 14 30 1 0 14 31 1 0 14 32 1 0 15 33 1 0 15 34 1 0 16 35 1 0 16 36 1 0 17 37 1 0 M END