HMDB0035695 RDKit 3D Vitamin A2 aldehyde 47 47 0 0 0 0 0 0 0 0999 V2000 -3.3175 0.3169 3.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8320 0.1011 1.6917 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0041 -0.0183 0.6424 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5687 0.0759 0.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6217 -0.0165 0.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7954 0.0940 0.4696 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0629 0.3120 1.8953 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7357 -0.0036 -0.4447 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1369 0.0998 -0.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0637 -0.0049 -1.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4889 0.0769 -0.8184 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0200 0.3058 0.5378 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3017 -0.0470 -1.8527 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7375 0.0176 -1.7484 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4361 -0.1099 -2.8055 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4772 -0.2369 -0.7358 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8729 -1.5675 -1.1937 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9485 0.8769 -1.6564 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9390 -0.3010 -0.9666 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7570 -0.1625 0.2272 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2496 0.0187 1.4217 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8237 -0.6022 3.4733 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6528 1.2030 3.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1758 0.5144 3.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2659 0.2341 1.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8185 -0.1715 -0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4810 1.2073 2.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7501 -0.6011 2.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0893 0.5045 2.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4618 -0.1660 -1.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5174 0.2475 0.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7117 -0.1654 -2.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9987 0.8475 0.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3417 0.9151 1.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2219 -0.6531 1.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8659 -0.2090 -2.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2219 0.1666 -0.8226 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1896 -1.9727 -0.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7252 -2.2707 -1.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4171 -1.4100 -2.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8253 1.4514 -2.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3246 1.6030 -1.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4624 0.4428 -2.5462 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1733 -1.3235 -1.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2229 0.4660 -1.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8654 -0.2052 0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9094 0.1197 2.3051 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 5 6 1 0 6 7 1 0 6 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 13 2 0 13 14 1 0 14 15 2 0 3 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 19 20 1 0 20 21 2 0 21 2 1 0 1 22 1 0 1 23 1 0 1 24 1 0 4 25 1 0 5 26 1 0 7 27 1 0 7 28 1 0 7 29 1 0 8 30 1 0 9 31 1 0 10 32 1 0 12 33 1 0 12 34 1 0 12 35 1 0 13 36 1 0 14 37 1 0 17 38 1 0 17 39 1 0 17 40 1 0 18 41 1 0 18 42 1 0 18 43 1 0 19 44 1 0 19 45 1 0 20 46 1 0 21 47 1 0 M END