HMDB0038690 RDKit 3D Isoachifolidiene 49 51 0 0 0 0 0 0 0 0999 V2000 -1.2101 3.2074 -1.8316 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9960 2.2410 -1.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4460 2.1555 -1.4784 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1892 2.9081 -2.1627 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8364 1.0649 -0.6761 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7410 0.1503 -0.6213 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5596 1.0574 -0.6132 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3057 0.4164 -1.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4325 -0.1947 0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -0.4289 -0.2586 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8135 0.2111 0.3988 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4646 1.0457 1.2972 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2031 -0.0517 0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5195 -1.0378 -0.9743 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1978 0.5516 0.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6081 0.2813 0.3816 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2645 -1.4219 0.5635 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5772 -2.4425 -0.4707 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5992 -1.9983 1.4991 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5181 -0.9737 1.2152 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6735 -0.6834 2.4897 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0626 -0.2820 2.7274 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7472 -0.3290 1.5992 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1807 0.0070 1.4467 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8314 -0.7686 0.5528 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1455 3.2012 -1.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6842 4.0221 -2.3643 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7539 -0.3834 -1.6052 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3649 1.3708 0.4323 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3394 1.2325 -1.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4817 -0.2874 -1.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3966 0.5651 0.8347 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9345 -1.9702 -0.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2494 -0.5587 -1.9547 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5868 -1.3324 -0.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9354 1.2773 1.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2373 1.1027 0.7935 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8020 0.2959 -0.7273 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9835 -0.6730 0.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5704 -3.4491 0.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5688 -2.3589 -0.9336 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2431 -2.5401 -1.2414 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5139 -1.8589 1.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8622 -0.7502 3.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4088 0.0002 3.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3378 1.0902 1.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8208 -0.5391 2.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5459 -0.3773 0.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1636 -1.7646 0.1906 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 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 9 17 1 0 17 18 1 0 17 19 1 0 17 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 7 2 1 0 25 20 1 0 25 6 1 0 1 26 1 0 1 27 1 0 6 28 1 0 7 29 1 0 8 30 1 0 8 31 1 0 9 32 1 0 14 33 1 0 14 34 1 0 14 35 1 0 15 36 1 0 16 37 1 0 16 38 1 0 16 39 1 0 18 40 1 0 18 41 1 0 18 42 1 0 19 43 1 0 21 44 1 0 22 45 1 0 24 46 1 0 24 47 1 0 24 48 1 0 25 49 1 0 M END