HMDB0303940 RDKit 3D (+)-cis-abscisic aldehyde 38 38 0 0 0 0 0 0 0 0999 V2000 -0.4397 0.9225 2.5399 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3231 0.3191 1.5119 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6193 0.6471 1.4587 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5264 0.0809 0.4673 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7500 0.3797 0.4178 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9390 -0.8779 -0.4973 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4926 -0.3985 -0.7435 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5205 1.0881 -1.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0356 -1.1224 -1.9547 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7644 -0.6720 0.5158 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2557 -1.9147 0.9992 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6835 -0.6264 0.5171 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4622 0.0827 -0.2833 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9194 0.0385 -0.1768 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5478 -0.8414 0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7450 0.7211 -0.9442 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2439 1.5885 -1.9778 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0686 2.2253 -2.6916 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 1.8450 2.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2682 0.1772 2.9531 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0670 1.2558 3.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9978 1.3536 2.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8597 -1.8863 -0.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4964 -0.9149 -1.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0297 1.6607 -0.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5941 1.4375 -1.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 1.3091 -2.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9220 -1.1683 -2.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8156 -2.2098 -1.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2452 -0.6420 -2.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4891 -2.4046 1.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2248 -1.2285 1.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0119 0.6917 -1.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2562 -0.4531 1.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0994 -1.8718 0.7636 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6254 -0.9150 0.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8207 0.6206 -0.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2066 1.7031 -2.1509 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 1 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 10 2 1 0 1 19 1 0 1 20 1 0 1 21 1 0 3 22 1 0 6 23 1 0 6 24 1 0 8 25 1 0 8 26 1 0 8 27 1 0 9 28 1 0 9 29 1 0 9 30 1 0 11 31 1 0 12 32 1 0 13 33 1 0 15 34 1 0 15 35 1 0 15 36 1 0 16 37 1 0 17 38 1 0 M END