HMDB0124760 RDKit 3D {2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.... 42 45 0 0 0 0 0 0 0 0999 V2000 -3.5187 1.1242 4.4778 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2053 0.9139 3.2675 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1725 1.0397 2.2951 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8531 0.8153 0.9718 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7289 0.9197 0.0054 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4388 0.7110 -1.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4535 0.8396 -2.2908 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6589 1.1946 -1.7204 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1405 0.3523 -1.6436 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1975 0.2323 -0.6715 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8768 -0.1202 -0.9697 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 -0.3449 -2.2605 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0256 -0.2250 0.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4072 -0.5829 -0.1643 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9772 -0.8536 -1.3589 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3394 -1.1972 -1.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8494 -1.4605 -2.7458 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1397 -1.2674 -0.3792 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4862 -1.5996 -0.4397 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7095 -0.4356 -0.6335 S 0 0 0 0 0 6 0 0 0 0 0 0 7.1712 -0.3059 -2.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9225 -0.8082 0.2047 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2080 1.0788 -0.1072 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5747 -0.9942 0.8478 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4071 -1.0691 1.9839 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2445 -0.6594 0.9666 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3765 0.0132 1.3181 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5911 0.3418 1.6327 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9065 0.5680 2.9805 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5552 0.4668 0.6592 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1927 1.3118 2.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1440 1.6056 -3.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5138 -0.1334 -2.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2069 0.4158 -1.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9309 0.1870 -2.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1387 -0.2855 -3.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4141 -0.8183 -2.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7952 -1.7089 -2.9232 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0215 1.5850 0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9673 -0.8642 2.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8157 -0.4487 1.9291 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1339 0.4662 3.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 6 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 2 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 2 0 20 23 1 0 18 24 1 0 24 25 1 0 24 26 2 0 13 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 29 2 1 0 30 4 1 0 30 10 2 0 26 14 1 0 3 31 1 0 7 32 1 0 7 33 1 0 8 34 1 0 9 35 1 0 12 36 1 0 15 37 1 0 17 38 1 0 23 39 1 0 25 40 1 0 26 41 1 0 29 42 1 0 M END