HMDB0030589 RDKit 3D O-Methylsterigmatocystin 39 43 0 0 0 0 0 0 0 0999 V2000 5.4474 -0.1296 0.5036 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0703 0.0366 0.3322 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1791 -1.0204 0.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5671 -2.3383 0.3709 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6814 -3.3845 0.3087 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3391 -3.0794 0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9517 -1.7594 0.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3121 -1.5032 -0.1271 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7951 -0.2852 -0.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 -0.0561 -0.4056 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6739 1.2073 -0.5219 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7979 2.2985 -0.4627 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4473 2.1061 -0.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4536 3.1511 -0.2293 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0791 4.5015 -0.3302 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0368 0.8220 -0.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3836 0.5779 -0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1822 1.5402 0.0441 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8395 -0.7053 0.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0634 1.1151 -0.6840 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3693 -0.1979 -1.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5068 -0.7358 -0.4562 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0847 -1.1542 0.8203 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7785 -1.3235 0.8476 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2683 -1.0000 -0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9317 -0.3637 -0.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8885 0.8111 0.9157 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6177 -0.9529 1.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6078 -2.5771 0.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9621 -4.4240 0.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6376 -3.9016 0.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2114 3.2936 -0.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0287 4.7543 -1.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8327 5.1703 0.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9155 4.7013 0.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3858 -0.3217 -2.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7319 -1.3232 1.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1620 -1.6413 1.6908 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0167 -1.9084 -1.0875 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 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 13 16 2 0 16 17 1 0 17 18 2 0 17 19 1 0 11 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 19 3 1 0 25 21 1 0 19 7 2 0 16 9 1 0 25 10 1 0 1 26 1 0 1 27 1 0 1 28 1 0 4 29 1 0 5 30 1 0 6 31 1 0 12 32 1 0 15 33 1 0 15 34 1 0 15 35 1 0 21 36 1 0 23 37 1 0 24 38 1 0 25 39 1 0 M END