HMDB0030755 RDKit 3D Myrigalone E 42 43 0 0 0 0 0 0 0 0999 V2000 -5.4233 0.9241 1.3806 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6033 1.1624 0.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3288 0.6732 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7206 -0.1122 1.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4450 -0.5845 0.8532 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8403 -1.3812 1.8194 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5472 -1.7010 2.9974 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7066 -0.2922 -0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6435 -0.8128 -0.4613 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 -1.5174 0.4596 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4202 -0.5206 -1.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8076 -1.0905 -1.7158 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6474 -0.6088 -0.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1978 0.6651 -0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0334 1.1991 0.2116 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3336 0.4464 1.3251 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7926 -0.8152 1.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9418 -1.3529 0.4692 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3237 0.4996 -1.2468 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 0.8371 -2.4144 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6294 0.9739 -1.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2350 1.8209 -2.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0311 1.8595 1.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1659 0.1071 1.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8708 0.7587 2.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2215 -0.3930 1.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9041 -2.4050 3.5708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5195 -2.1873 2.8095 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7138 -0.7961 3.6348 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9032 -0.8103 -2.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4981 0.6084 -1.7392 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7392 -2.2063 -1.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2488 -0.8597 -2.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9714 1.2776 -1.6218 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4299 2.1924 0.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9901 0.8455 2.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0022 -1.4357 2.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5614 -2.3565 0.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1450 1.4160 -3.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2858 1.2308 -3.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6342 2.7135 -2.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2944 2.0278 -1.8349 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 1 0 5 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 8 19 1 0 19 20 1 0 19 21 2 0 21 22 1 0 21 3 1 0 18 13 1 0 1 23 1 0 1 24 1 0 1 25 1 0 4 26 1 0 7 27 1 0 7 28 1 0 7 29 1 0 11 30 1 0 11 31 1 0 12 32 1 0 12 33 1 0 14 34 1 0 15 35 1 0 16 36 1 0 17 37 1 0 18 38 1 0 20 39 1 0 22 40 1 0 22 41 1 0 22 42 1 0 M END