HMDB0006558 RDKit 3D 2,3-Epoxyaflatoxin B1 36 41 0 0 0 0 0 0 0 0999 V2000 -1.8448 3.0994 1.5201 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7754 1.8363 0.9378 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6561 1.1973 0.4901 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5729 1.8365 0.6063 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7216 1.2086 0.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5952 -0.0496 -0.3929 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3728 -0.6978 -0.5142 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2653 -1.8854 -1.0373 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8666 -2.5155 -1.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9045 -3.6689 -1.6807 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0308 -1.8928 -0.7167 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0073 -0.6395 -0.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7517 -0.0413 -0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3511 -0.2353 0.2234 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2427 -1.2187 -0.5036 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3946 -2.4118 -0.7618 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8228 -3.5627 -0.9626 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9514 -0.4748 -0.7770 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6815 0.8406 -0.9133 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0765 1.5940 0.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9834 0.5030 -0.6268 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9394 -0.3290 0.4635 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8612 -1.7255 0.2339 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6495 -1.1062 0.3974 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0983 3.8101 1.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8571 3.5244 1.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8075 2.9841 2.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6788 2.8174 1.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5595 -0.3411 1.3201 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6516 0.7730 -0.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5597 -0.8233 -1.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1581 -1.4606 0.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9894 -1.0927 -1.6885 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5487 1.3076 -1.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3464 -0.0157 1.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1063 -1.1442 1.3546 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 6 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 13 3 1 0 24 18 1 0 20 5 1 0 24 22 1 0 13 7 2 0 16 11 1 0 1 25 1 0 1 26 1 0 1 27 1 0 4 28 1 0 14 29 1 0 14 30 1 0 15 31 1 0 15 32 1 0 18 33 1 6 19 34 1 6 22 35 1 1 24 36 1 1 M END