HMDB0304485 RDKit 3D sinapoyl-(S)-malate 38 38 0 0 0 0 0 0 0 0999 V2000 -0.1853 3.4419 -0.9432 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6712 2.1210 -0.8021 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2544 1.1200 -0.5431 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6116 1.3865 -0.4233 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5488 0.4086 -0.1665 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9804 0.7617 -0.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9095 -0.1337 0.1918 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3050 0.2987 0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6186 1.5077 0.1497 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3317 -0.5934 0.5452 O 0 0 0 0 0 1 0 0 0 0 0 0 2.0852 -0.8778 -0.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 -1.1881 -0.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2587 -2.4791 -0.0038 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1481 -3.5664 0.2635 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1798 -0.1838 -0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5338 -0.4581 -0.5172 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3102 -0.4056 0.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7486 -0.1130 1.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7794 -0.6880 0.5896 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1911 -0.9910 -0.7047 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5618 0.5266 1.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0017 0.1861 0.9712 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5507 -0.4918 1.8771 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8318 0.5934 -0.0866 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.0002 4.1871 -1.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4436 3.7385 -0.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4747 3.4509 -1.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9255 2.4142 -0.5399 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2830 1.7983 -0.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7005 -1.1947 0.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7567 -1.6917 0.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8601 -3.6886 -0.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7194 -3.3828 1.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5944 -4.5107 0.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9732 -1.4941 1.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3738 -1.9545 -0.8104 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2992 0.7373 2.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3610 1.4084 0.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 3 7 8 1 0 8 9 2 0 8 10 1 0 5 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 12 15 2 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 15 3 1 0 1 25 1 0 1 26 1 0 1 27 1 0 4 28 1 0 6 29 1 0 7 30 1 0 11 31 1 0 14 32 1 0 14 33 1 0 14 34 1 0 19 35 1 0 20 36 1 0 21 37 1 0 21 38 1 0 M CHG 2 10 -1 24 -1 M END