HMDB0030813 RDKit 3D Cassiachromone 29 30 0 0 0 0 0 0 0 0999 V2000 3.0280 1.9413 -0.4083 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8406 0.4984 -0.3658 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4453 -0.0776 0.5692 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0559 -0.4168 -1.2305 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9656 -0.9443 -0.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1434 -2.1014 0.3053 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1859 -2.5859 1.1592 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4394 -3.7486 1.8676 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9889 -1.9222 1.2954 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2297 -0.7645 0.5781 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3758 -0.1424 0.7216 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6431 0.9575 0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9661 1.6330 0.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7394 1.5058 -0.8275 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5151 0.8216 -0.9648 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3057 1.2989 -1.7511 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2296 -0.3104 -0.2785 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8462 2.4210 -1.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0682 2.1926 -0.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3310 2.3632 0.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7818 -1.2809 -1.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9268 -0.1337 -2.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0996 -2.6241 0.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2685 -4.0938 2.4948 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7526 -2.2995 1.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7060 0.8989 0.6066 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3372 2.0743 -0.6791 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8119 2.4364 1.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8993 2.4033 -1.4095 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 2 0 14 15 1 0 15 16 2 0 15 17 1 0 17 5 1 0 17 10 2 0 1 18 1 0 1 19 1 0 1 20 1 0 4 21 1 0 4 22 1 0 6 23 1 0 8 24 1 0 9 25 1 0 13 26 1 0 13 27 1 0 13 28 1 0 14 29 1 0 M END