HMDB0036093 RDKit 3D Abscisic acid 39 39 0 0 0 0 0 0 0 0999 V2000 -1.3261 -1.6221 2.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8372 -1.1379 1.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8641 -1.7646 0.6507 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4143 -1.3404 -0.6352 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5502 -1.7053 -1.0356 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5668 -0.4495 -1.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8372 0.5773 -0.6325 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8311 1.6377 -0.2406 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8345 1.2417 -1.5774 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1450 0.0141 0.5607 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0785 1.0161 1.5317 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2713 -0.3553 0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2892 0.4139 0.5307 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6845 0.1380 0.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1569 -1.0497 -0.5085 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5714 1.0235 0.6374 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0003 0.8930 0.4106 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8260 1.7597 0.8196 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5618 -0.1803 -0.2645 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5631 -2.4156 2.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1456 -2.0817 3.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9479 -0.7568 3.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3262 -2.6084 1.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2385 0.1126 -2.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8812 -1.0360 -2.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1425 1.4267 0.8161 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6920 1.6976 -0.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2935 2.6070 -0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2227 1.9748 -1.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 1.6840 -2.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1225 0.4951 -1.9951 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9511 1.9151 1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4664 -1.2655 -0.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0007 1.3270 1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3277 -1.6993 -0.8349 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6510 -0.7038 -1.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8358 -1.6861 0.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2471 1.9226 1.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2836 -0.0195 -0.9257 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 7 10 1 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 2 0 16 17 1 0 17 18 2 0 17 19 1 0 10 2 1 0 1 20 1 0 1 21 1 0 1 22 1 0 3 23 1 0 6 24 1 0 6 25 1 0 8 26 1 0 8 27 1 0 8 28 1 0 9 29 1 0 9 30 1 0 9 31 1 0 11 32 1 0 12 33 1 0 13 34 1 0 15 35 1 0 15 36 1 0 15 37 1 0 16 38 1 0 19 39 1 0 M END