HMDB0040897 RDKit 3D Methyl (3x,4E,10R)-3,10-dihydroxy-4,11-dodecadiene-6,8-diynoate 10-glucoside 52 52 0 0 0 0 0 0 0 0999 V2000 -1.8033 -3.6629 -2.5588 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1132 -2.4024 -2.4354 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1428 -1.7126 -1.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7676 -1.3470 -0.6931 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3567 -1.0555 -0.3643 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6852 -0.7184 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8232 -0.4240 0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1783 -0.0684 0.6151 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1969 -0.3479 -0.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6036 -0.0016 0.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2062 0.3735 -1.0684 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7201 1.0823 1.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1601 1.3661 1.4084 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5209 2.2376 2.2405 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1583 0.6880 0.7238 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5145 0.9968 0.9828 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8619 -0.5427 -1.1424 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9426 -0.5257 -0.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7554 0.3994 0.7180 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7604 0.9239 1.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9338 2.4207 1.2776 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1873 2.7480 -0.0411 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0224 0.1626 1.2918 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0353 0.8564 1.9534 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4184 -0.1347 -0.1317 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0624 0.9978 -0.6237 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2438 -0.5184 -0.9839 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1358 0.3860 -2.0354 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7765 -4.1754 -3.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5497 -4.2626 -1.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3607 -1.8223 -3.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6023 -2.3934 -0.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3598 0.4536 1.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0178 -0.8762 -1.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0851 -0.9342 0.5219 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3512 -0.4713 -1.5804 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2999 0.7191 2.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2458 1.9932 0.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1890 0.4784 0.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7367 0.6945 2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6953 2.1019 0.9516 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8913 -1.5392 0.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4650 0.8041 2.5301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0818 2.9781 1.7189 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8320 2.7522 1.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7822 3.5316 -0.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9081 -0.8088 1.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7270 0.2335 2.2568 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1855 -0.9341 -0.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5649 0.7960 -1.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4608 -1.5047 -1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7303 0.0087 -2.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 3 0 5 6 1 0 6 7 3 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 3 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 20 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 27 18 1 0 1 29 1 0 1 30 1 0 2 31 1 0 3 32 1 0 8 33 1 0 9 34 1 0 10 35 1 0 11 36 1 0 12 37 1 0 12 38 1 0 16 39 1 0 16 40 1 0 16 41 1 0 18 42 1 0 20 43 1 0 21 44 1 0 21 45 1 0 22 46 1 0 23 47 1 0 24 48 1 0 25 49 1 0 26 50 1 0 27 51 1 0 28 52 1 0 M END