HMDB0038871 RDKit 3D Sesamose 87 90 0 0 0 0 0 0 0 0999 V2000 8.1627 0.2514 2.8010 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3781 -0.7927 2.3266 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7143 -0.4216 1.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9572 -1.5210 0.6262 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2134 -1.1529 -0.4819 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6273 0.0651 -0.2535 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2722 0.1260 -0.3191 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4847 -0.6778 0.6493 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1150 -0.5880 0.4434 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6061 0.6993 0.4442 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7658 0.5550 0.4222 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4291 0.9470 -0.7104 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2077 2.4334 -0.9321 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9025 2.8725 -2.0695 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7821 0.6905 -0.4949 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1414 -0.3703 -1.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5533 -0.3181 -1.7515 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5085 -0.3316 -0.7908 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5617 -1.3955 0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4592 -1.0906 1.3863 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4826 -0.3389 1.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4749 1.1025 1.4535 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2904 1.7098 1.8558 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8531 -0.9355 1.6759 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7763 0.1064 1.9215 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0614 -1.3934 0.2651 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4511 -0.3451 -0.5383 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8751 -2.1362 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8052 -3.4441 0.2216 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2697 -0.2079 -2.5668 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7643 0.7730 -3.3964 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9685 0.1767 -1.9086 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2418 0.9506 -2.8032 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0534 1.5574 1.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0817 2.9130 1.2585 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3783 1.2060 2.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4303 1.5617 3.5232 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6865 -0.2665 2.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8989 -0.5627 2.6302 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1664 -1.1187 -1.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8672 -0.0814 -2.5228 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5961 -1.0772 -1.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4763 -0.8392 -2.2035 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7450 -0.1124 -0.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6872 1.2157 -0.4522 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6559 1.0876 2.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6037 -1.0113 3.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9864 -1.7041 2.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0265 0.4342 1.1889 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4373 -1.9370 -0.6624 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9970 1.2207 -0.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9719 -0.1505 -1.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7646 -1.7361 0.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 1.1428 -0.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5631 3.0493 -0.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1558 2.6505 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7634 3.2813 -1.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8288 -1.3547 -0.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6958 0.5721 -2.3896 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7283 -1.1987 -2.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7719 -2.1760 -0.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3397 -0.3162 3.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7303 1.2565 0.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2871 1.6095 2.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2099 2.6286 1.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0630 -1.7673 2.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7655 0.3968 2.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9181 -2.1187 0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8497 -0.6644 -1.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9409 -2.1896 -1.3555 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2119 -3.9866 -0.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1644 -1.1722 -3.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2376 0.3479 -4.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 -0.7428 -1.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4366 0.3821 -3.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2913 1.4544 2.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6073 3.0370 0.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2240 1.7388 1.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3515 1.6248 3.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8939 -0.7906 2.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0363 -1.5334 2.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0632 -2.0871 -2.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0897 0.7962 -2.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8135 -2.0968 -0.7716 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3017 0.0654 -2.5638 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7551 -0.2700 0.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4438 1.8337 0.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 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 1 0 12 13 1 0 13 14 1 0 12 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 21 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 16 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 10 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 5 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 44 3 1 0 38 8 1 0 32 12 1 0 28 19 1 0 1 46 1 0 2 47 1 0 2 48 1 0 3 49 1 0 5 50 1 0 7 51 1 0 7 52 1 0 8 53 1 0 10 54 1 0 13 55 1 0 13 56 1 0 14 57 1 0 16 58 1 0 17 59 1 0 17 60 1 0 19 61 1 0 21 62 1 0 22 63 1 0 22 64 1 0 23 65 1 0 24 66 1 0 25 67 1 0 26 68 1 0 27 69 1 0 28 70 1 0 29 71 1 0 30 72 1 0 31 73 1 0 32 74 1 0 33 75 1 0 34 76 1 0 35 77 1 0 36 78 1 0 37 79 1 0 38 80 1 0 39 81 1 0 40 82 1 0 41 83 1 0 42 84 1 0 43 85 1 0 44 86 1 0 45 87 1 0 M END