HMDB0304020 RDKit 3D 131-oxo-magnesium-protoporphyrin IX 13-monomethyl ester 76 79 0 0 0 0 0 0 0 0999 V2000 -2.0559 -6.9667 0.4656 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4967 -5.8520 0.8565 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9162 -4.5006 0.4972 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1176 -4.1109 0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3485 -4.9172 -0.2691 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0111 -2.7166 -0.2032 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9592 -1.8362 -0.6936 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0823 -0.5123 -0.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0077 0.1574 0.1364 N 0 0 0 0 0 2 0 0 0 0 0 0 -3.3666 1.4115 0.4603 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4749 2.3305 0.9665 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1533 2.4677 0.5991 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3913 1.4447 0.2327 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8327 1.8437 -0.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8022 0.9553 -0.4794 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8641 -0.3828 -0.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7635 -1.0462 0.2743 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1184 -2.2861 0.6048 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2199 -3.2373 1.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0881 -3.3544 0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7978 -2.3220 0.1548 N 0 0 0 0 0 2 0 0 0 0 0 0 2.5815 -2.4357 0.4456 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4065 -3.6565 0.7049 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0222 -1.2589 0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4355 -1.0181 -0.2428 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2966 -1.9484 -0.0665 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9813 0.2700 -0.7195 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4717 0.1973 -0.8014 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0332 -0.3827 -1.7530 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2134 0.7901 0.2056 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6299 0.6978 0.0922 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8958 3.3254 0.1203 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1321 4.0880 -0.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1023 5.5448 0.0593 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4498 6.0957 -0.2637 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3657 5.3436 -0.6216 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6571 7.4477 -0.1576 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.3066 3.6915 0.5237 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7556 5.0789 0.8515 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7357 1.5361 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5800 2.7439 0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1817 0.3311 -0.3113 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5507 0.0904 -0.7469 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7574 -0.5287 -1.8916 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 Mg 0 0 0 0 0 15 0 0 0 0 0 0 -2.8932 -6.9790 -0.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6088 -7.8928 0.8342 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6098 -5.8838 1.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5864 -5.5899 0.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1999 -4.1893 -0.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2960 -5.4534 -1.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6492 -2.2525 -1.4109 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8791 3.0090 1.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5538 1.3432 -1.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5308 -3.9748 1.7665 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8336 -3.9276 -0.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6918 -4.4658 0.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1981 -3.5042 1.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5880 0.4221 -1.7667 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6600 1.0932 -0.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1504 1.4807 0.6493 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9926 -0.3035 0.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8842 0.7619 -0.9769 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4117 3.9115 -1.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9989 3.6497 0.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9734 5.7782 1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4026 6.0932 -0.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8247 5.7386 -0.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 5.5050 1.7322 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8406 4.9824 1.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5999 2.4635 0.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5094 3.3796 -0.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0758 3.3234 1.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4032 0.4071 -0.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7981 -0.6965 -2.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9779 -0.8421 -2.5620 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 4 5 1 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 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 18 19 1 0 19 20 2 0 20 21 1 0 18 22 1 0 22 23 1 0 22 24 2 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 14 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 32 38 2 0 38 39 1 0 10 40 2 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 2 3 20 3 1 0 21 6 1 0 42 8 2 0 38 12 1 0 24 16 1 0 1 46 1 0 1 47 1 0 2 48 1 0 5 49 1 0 5 50 1 0 5 51 1 0 7 52 1 0 11 53 1 0 15 54 1 0 19 55 1 0 23 56 1 0 23 57 1 0 23 58 1 0 27 59 1 0 27 60 1 0 31 61 1 0 31 62 1 0 31 63 1 0 33 64 1 0 33 65 1 0 34 66 1 0 34 67 1 0 39 68 1 0 39 69 1 0 39 70 1 0 41 71 1 0 41 72 1 0 41 73 1 0 43 74 1 0 44 75 1 0 44 76 1 0 M CHG 4 9 -1 21 -1 37 -1 45 2 M END