HMDB0036617 RDKit 3D (+)-Chebulic acid 37 38 0 0 0 0 0 0 0 0999 V2000 -2.7514 -3.5499 -0.1965 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4717 -2.4400 0.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0713 -2.1694 1.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5611 -1.4946 -0.3048 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4142 -0.1673 0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7753 0.4230 0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1542 1.0569 -0.5425 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6867 0.3381 1.5117 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3814 0.6304 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0143 0.1144 -0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8193 0.7601 -1.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1249 0.2774 -1.3408 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5847 -0.8031 -0.6396 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8696 -1.2848 -0.8425 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7836 -1.4477 0.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2845 -2.5472 0.9949 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4955 -0.9637 0.4901 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7287 -1.6244 1.4322 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4248 2.0271 -1.7672 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1525 2.5911 -2.6058 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1707 2.5280 -1.3453 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2552 2.0867 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3602 2.9129 0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8690 2.8047 1.5408 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9373 3.8696 -0.4405 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0690 -2.3701 1.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6191 -1.8700 -0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1165 -1.2154 -1.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2522 -0.4970 1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3475 0.4214 2.4784 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6734 0.5236 -1.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7187 0.8114 -2.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4558 -0.8263 -1.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8201 -3.0832 1.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9623 -2.3985 1.9855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 2.2802 0.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3074 4.2956 -1.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 5 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 1 0 15 17 2 0 17 18 1 0 11 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 22 9 1 0 17 10 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 8 30 1 0 9 31 1 0 12 32 1 0 14 33 1 0 16 34 1 0 18 35 1 0 22 36 1 0 25 37 1 0 M END