HMDB0040731 RDKit 3D Avenalumic acid 24 24 0 0 0 0 0 0 0 0999 V2000 5.0475 0.9752 1.2965 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7457 -0.2574 1.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7439 -1.1447 1.7266 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4046 -0.6675 1.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4916 0.2200 0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1323 -0.2035 0.3208 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2243 0.6735 -0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1631 0.3346 -0.3866 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6217 -0.9606 -0.3736 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9489 -1.2446 -0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8271 -0.2511 -1.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1513 -0.4802 -1.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3442 1.0408 -1.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0439 1.3395 -0.7458 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8481 -1.9978 1.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1477 -1.7279 1.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8045 1.2499 0.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8833 -1.2465 0.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5319 1.7103 -0.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0005 -1.7800 -0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3135 -2.2665 -0.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9206 -0.4893 -0.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0023 1.8810 -1.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6683 2.3744 -0.7536 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 2 0 14 8 1 0 3 15 1 0 4 16 1 0 5 17 1 0 6 18 1 0 7 19 1 0 9 20 1 0 10 21 1 0 12 22 1 0 13 23 1 0 14 24 1 0 M END