Mrv1652304232000312D 45 47 0 0 1 0 999 V2000 20.1889 -18.4566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0140 -18.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2522 -17.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2507 -19.1733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6639 -18.4593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4890 -18.4601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4257 -19.1724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7132 -17.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4272 -17.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4280 -16.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3660 -18.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7108 -19.5842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4249 -19.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5527 -18.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8353 -18.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5498 -18.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2643 -18.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9788 -18.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2643 -19.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6934 -18.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4078 -18.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1222 -18.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8369 -18.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1222 -19.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5513 -18.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2658 -18.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9803 -18.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6948 -18.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4091 -18.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6948 -17.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1237 -18.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8382 -18.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5527 -17.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1208 -18.0516 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8353 -17.6390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4064 -16.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6919 -18.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6919 -17.2265 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9774 -16.8140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9939 -19.1786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4064 -18.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 -19.1786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1208 -17.2265 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8375 -16.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1774 -19.2553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 1 2 0 0 0 0 1 2 2 0 0 0 0 2 9 1 0 0 0 0 2 7 1 0 0 0 0 9 3 1 0 0 0 0 7 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 6 0 0 0 4 5 1 0 0 0 0 7 13 1 6 0 0 0 7 12 1 1 0 0 0 9 8 1 0 0 0 0 9 10 1 0 0 0 0 11 14 1 6 0 0 0 34 15 1 6 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 29 31 2 0 0 0 0 31 32 1 0 0 0 0 32 14 2 0 0 0 0 14 33 1 0 0 0 0 34 43 1 0 0 0 0 34 35 1 1 0 0 0 34 41 1 0 0 0 0 43 36 1 0 0 0 0 43 35 1 1 0 0 0 41 37 1 0 0 0 0 36 38 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 6 0 0 0 41 40 1 0 0 0 0 41 42 1 0 0 0 0 43 44 1 0 0 0 0 11 45 1 1 0 0 0 M END > FDB015886 > foodb > [H]C(=[C@@]=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C > InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t22-,33-,34-,38+,39+,40-/m0/s1 > PGYAYSRVSAJXTE-MTYISEJWSA-N > C40H56O4 > 600.8702 > 600.41786028 > 4 > 100 > 74.73728374747793 > 0 > 3 > 0 > 0 > (1R,3S)-6-[(1M,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-ylidene]-1,5,5-trimethylcyclohexane-1,3-diol > 7.85 > 6.691937891 > -5.84 > 1 > 3 > 0 > 14.930480509146975 > 14.005124919564018 > -2.7377022034819802 > 73.22 > 194.03110000000007 > 9 > 0 > 8.77e-04 g/l > all-trans-neoxanthin > 0 > FDB015886 > Neoxanthin $$$$