HMDB0005796 RDKit 3D Picrocrocin 49 50 0 0 0 0 0 0 0 0999 V2000 -3.4756 2.3348 1.4759 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8591 1.0931 0.9449 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5610 0.3643 0.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8865 0.8208 -0.2893 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5700 0.1565 -1.0949 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9203 -0.8529 -0.4189 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0145 -1.9815 0.5845 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6439 -1.3110 -1.6667 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4978 -0.5769 -0.8346 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7289 0.2806 0.1261 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4717 -0.3416 0.3662 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 0.3025 -0.0710 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3519 -0.4716 -0.9559 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6140 0.1588 -1.0208 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3002 -0.1668 -2.3339 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5465 0.2648 -3.4194 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4046 -0.3761 0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4732 0.4601 0.3839 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4554 -0.4375 1.3355 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8064 -1.6676 1.4142 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4301 0.6370 1.1594 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5904 0.7416 2.2746 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5104 0.6394 1.3359 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7274 2.7987 2.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4376 2.1339 1.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5818 3.0348 0.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2867 1.7264 0.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9832 -2.3740 0.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5908 -2.8492 0.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5303 -1.6642 1.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7838 -0.5003 -2.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5351 -1.8880 -1.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9394 -2.0504 -2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0217 -1.5782 -1.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5470 -0.1196 -1.8639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4878 1.2437 -0.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4111 1.2664 -0.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5284 1.2509 -0.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4644 -1.2537 -2.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2614 0.3856 -2.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1818 1.1621 -3.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7071 -1.4248 -0.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7451 0.4286 1.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0256 -0.2108 2.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2327 -2.3405 0.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9395 1.6145 1.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1544 -0.0996 2.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5286 -0.2308 2.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 1.4678 1.8910 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 2 0 3 6 1 0 6 7 1 0 6 8 1 0 6 9 1 0 9 10 1 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 14 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 10 23 1 0 23 2 1 0 21 12 1 0 1 24 1 0 1 25 1 0 1 26 1 0 4 27 1 0 7 28 1 0 7 29 1 0 7 30 1 0 8 31 1 0 8 32 1 0 8 33 1 0 9 34 1 0 9 35 1 0 10 36 1 6 12 37 1 6 14 38 1 1 15 39 1 0 15 40 1 0 16 41 1 0 17 42 1 0 18 43 1 0 19 44 1 1 20 45 1 0 21 46 1 0 22 47 1 0 23 48 1 0 23 49 1 0 M END