HMDB0030516 RDKit 3D Petasinine 38 39 0 0 0 0 0 0 0 0999 V2000 4.3593 0.4977 1.9812 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4443 0.4489 0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3797 0.2840 -0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5483 0.2461 -1.7254 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0535 0.1394 0.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9089 0.1701 1.5470 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9489 -0.0316 -0.4513 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3609 -0.1817 -0.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 -1.4098 -0.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4709 -1.0455 -0.6211 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3766 -1.8271 0.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4304 -1.1607 1.5155 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8991 0.2421 1.3226 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6281 0.2988 -0.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2887 0.9257 -0.4765 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3175 1.1457 -1.9686 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0842 1.4800 -2.4949 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9853 -0.4395 2.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7496 1.3731 2.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3748 0.6684 2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4165 0.5523 0.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9190 1.0554 -2.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6022 0.3442 -2.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0955 -0.7185 -2.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3431 -0.1340 1.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7491 -1.9229 -1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0439 -2.1661 0.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3840 -1.7675 -0.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1315 -2.9013 0.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8065 -1.7447 2.2271 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4948 -1.1774 1.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0658 0.4953 1.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7336 0.9447 1.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4079 0.8630 -0.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1155 1.8538 0.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7823 0.2727 -2.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9970 2.0058 -2.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2016 2.3211 -2.0488 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 3 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 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 16 17 1 0 15 8 1 0 14 10 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 4 22 1 0 4 23 1 0 4 24 1 0 8 25 1 0 9 26 1 0 9 27 1 0 11 28 1 0 11 29 1 0 12 30 1 0 12 31 1 0 13 32 1 0 13 33 1 0 14 34 1 0 15 35 1 0 16 36 1 0 16 37 1 0 17 38 1 0 M END