HMDB0250956 RDKit 3D Dehydromonocrotaline 44 46 0 0 0 0 0 0 0 0999 V2000 -2.1269 2.6454 -1.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3219 1.4567 -0.5856 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 1.9207 0.2505 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5163 2.9008 0.9794 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0237 1.3119 0.1339 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1618 0.8284 0.6353 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3519 1.6672 0.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5444 0.7299 0.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9518 -0.5990 0.0400 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1423 -1.8939 -0.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9318 -2.5944 -0.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9759 -1.6672 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6693 -0.4874 0.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5494 -1.5008 0.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3654 -2.5026 0.2756 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7014 -2.1158 0.0975 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5586 -2.9008 0.6490 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1755 -0.9334 -0.6404 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6169 -1.2675 -1.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5320 -0.7838 -1.8969 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1570 0.3875 0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9828 0.3094 1.5519 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4892 0.8917 -0.0664 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1145 2.2298 -1.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2882 3.3110 -0.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6056 3.1617 -1.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9363 0.9926 -1.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3147 0.8938 1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4596 2.6023 0.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1755 1.7924 -0.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9880 0.7566 1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2739 0.8582 -0.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1024 -2.3558 -0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6989 -3.6129 -0.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4988 -1.0736 1.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2609 -0.7883 -0.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0484 -0.3660 -1.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5139 -2.0761 -1.8776 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2347 -1.6030 -0.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6826 -1.6506 -2.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1032 -0.7715 1.8455 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7627 0.8655 2.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9941 0.6990 1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1050 0.3321 0.5039 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 18 20 1 0 18 21 1 0 21 22 1 0 21 23 1 0 21 2 1 0 13 6 1 0 13 9 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 6 28 1 0 7 29 1 0 7 30 1 0 8 31 1 0 8 32 1 0 10 33 1 0 11 34 1 0 14 35 1 0 14 36 1 0 19 37 1 0 19 38 1 0 19 39 1 0 20 40 1 0 22 41 1 0 22 42 1 0 22 43 1 0 23 44 1 0 M END