HMDB0031979 RDKit 3D Methyl (9Z)-8'-oxo-6,8'-diapo-6-carotenoate 54 53 0 0 0 0 0 0 0 0999 V2000 8.7331 -1.1229 -0.7148 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8278 -0.1902 -1.2399 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2634 1.0224 -1.8769 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4826 1.1541 -1.9142 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2438 1.9021 -2.3702 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9531 1.6765 -2.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9407 2.5752 -2.7589 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2918 3.7873 -3.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6682 2.3121 -2.5295 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2434 1.2341 -1.8165 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2267 0.5694 -1.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3343 -0.1232 -0.7641 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0507 0.9782 -1.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4705 -0.7594 -0.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5387 -1.5074 0.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6631 -0.7898 0.7355 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7569 -1.4372 1.2972 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8024 -1.2432 1.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3467 0.5852 2.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9146 -0.9697 2.7304 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1454 -1.4899 2.4013 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3209 -1.2411 3.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4570 -1.7890 2.7827 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4456 -2.6147 1.5528 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7062 -1.5774 3.5443 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8224 -1.9529 3.2881 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6842 -0.6595 -0.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2505 -1.6268 0.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9279 -1.8528 -1.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5827 2.8247 -2.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7123 0.7517 -1.7487 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4168 3.4012 -4.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1305 4.3558 -3.2418 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3549 4.3707 -3.7089 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9187 3.0326 -2.9797 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0894 0.3929 -1.7352 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2027 0.1506 -0.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5025 1.2855 -2.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7283 0.1992 -1.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0046 1.6031 -0.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4958 -1.6988 0.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5999 -2.5346 0.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5398 0.2836 0.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7852 -2.6381 1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0410 0.8240 2.8154 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3643 0.4219 2.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6292 0.7141 1.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9272 -0.4292 3.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1256 -2.0516 1.4918 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3298 -0.6232 4.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6111 -3.3344 1.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3967 -3.1984 1.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3006 -1.9784 0.6713 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6033 -0.9739 4.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 2 0 1 27 1 0 1 28 1 0 1 29 1 0 5 30 1 0 6 31 1 0 8 32 1 0 8 33 1 0 8 34 1 0 9 35 1 0 10 36 1 0 11 37 1 0 13 38 1 0 13 39 1 0 13 40 1 0 14 41 1 0 15 42 1 0 16 43 1 0 17 44 1 0 19 45 1 0 19 46 1 0 19 47 1 0 20 48 1 0 21 49 1 0 22 50 1 0 24 51 1 0 24 52 1 0 24 53 1 0 25 54 1 0 M END