HMDB0303942 RDKit 3D (+)-marmesin 32 34 0 0 0 0 0 0 0 0999 V2000 -2.0815 0.7585 -1.5235 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3378 0.1941 -0.1475 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7594 -0.3080 -0.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1928 1.1465 0.8376 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4233 -0.9720 0.1608 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7248 -1.4873 1.5355 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6872 -0.9606 2.3667 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 -0.5600 1.5541 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6902 -0.1954 1.8317 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5913 0.1701 0.8347 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 0.5138 1.1190 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7031 0.8652 0.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8763 1.1850 0.5427 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3765 0.8945 -1.1415 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0858 0.5386 -1.4772 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1908 0.1751 -0.4829 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8810 -0.1916 -0.7653 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0027 -0.5519 0.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0151 1.3047 -1.8192 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 -0.0567 -2.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1925 1.4290 -1.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2854 -0.1511 -1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8022 -1.4176 0.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3600 0.2027 0.6719 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3387 1.6135 0.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5819 -1.7716 -0.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7082 -2.6030 1.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6833 -1.1186 1.9523 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9905 -0.2043 2.8746 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1266 1.1885 -1.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7780 0.5445 -2.5115 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6063 -0.1744 -1.8142 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 2 0 18 5 1 0 18 8 1 0 16 10 2 0 1 19 1 0 1 20 1 0 1 21 1 0 3 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 9 29 1 0 14 30 1 0 15 31 1 0 17 32 1 0 M END