HMDB0040134 RDKit 3D Calebin A 48 49 0 0 0 0 0 0 0 0999 V2000 -7.4809 0.7868 1.4931 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6842 2.0536 0.8958 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6299 2.7434 0.2802 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3640 2.2176 0.2337 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2980 2.8609 -0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0037 2.2277 -0.3596 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9290 2.7681 -0.9038 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6719 2.0026 -0.8255 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3411 2.5299 -1.3476 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6319 0.6801 -0.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7014 0.2031 -0.2470 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1014 -1.0152 0.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -1.7411 0.8581 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5039 -1.4437 0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9243 -2.5964 0.6316 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3028 -3.0783 0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6468 -4.3083 1.0784 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8998 -4.8319 1.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8922 -4.1020 0.4144 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2148 -4.5684 0.3239 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6169 -2.8721 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6272 -2.1594 -0.7617 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3528 -0.8881 -1.3433 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3116 -2.3739 -0.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4797 4.0821 -0.9404 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7731 4.6237 -0.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8291 3.9756 -0.3004 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0774 4.5481 -0.2821 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9745 0.1443 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8210 0.9361 2.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4718 0.3871 1.7529 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2310 1.2303 0.7055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9115 1.2384 0.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9683 3.7307 -1.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3184 -0.0199 -0.6895 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9863 0.7326 0.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2031 -0.7956 -0.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1587 -3.1934 1.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8482 -4.8567 1.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1506 -5.8019 1.4681 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3976 -5.4707 0.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8196 -0.2971 -0.5419 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2886 -0.3230 -1.5318 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7293 -0.9593 -2.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1156 -1.4179 -0.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6974 4.6608 -1.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9027 5.6019 -1.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2685 5.4356 -0.6884 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 21 24 2 0 5 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 27 3 1 0 24 16 1 0 1 29 1 0 1 30 1 0 1 31 1 0 4 32 1 0 6 33 1 0 7 34 1 0 10 35 1 0 10 36 1 0 14 37 1 0 15 38 1 0 17 39 1 0 18 40 1 0 20 41 1 0 23 42 1 0 23 43 1 0 23 44 1 0 24 45 1 0 25 46 1 0 26 47 1 0 28 48 1 0 M END