LMPR01071009 LIPID_MAPS_STRUCTURE_DATABASE 44 46 0 0 0 999 V2000 3.7667 -12.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6346 -13.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5026 -12.5879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5026 -11.5857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6347 -11.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -11.5857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7644 -11.5857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2655 -10.7177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6347 -14.0913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3841 -11.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6436 -10.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5117 -9.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5116 -8.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3796 -8.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6437 -8.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2411 -8.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1084 -8.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9770 -8.5725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8444 -8.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7130 -8.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5803 -8.0683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4488 -8.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3163 -8.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1848 -8.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5027 -10.5834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0456 -8.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9130 -8.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7816 -8.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6490 -8.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5174 -8.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3849 -8.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2535 -8.0940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3838 -9.5884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5855 -10.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8889 -11.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8747 -11.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1805 -10.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5158 -9.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3149 -11.8936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1486 -10.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8892 -9.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9782 -9.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3162 -7.0640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7816 -7.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 2 9 1 1 0 0 0 4 10 1 1 0 0 0 5 11 1 1 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 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 23 24 1 0 0 0 0 5 25 1 6 0 0 0 4 25 1 6 0 0 0 24 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 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 33 31 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 33 37 1 0 0 0 0 33 38 1 1 0 0 0 35 39 1 1 0 0 0 37 40 1 0 0 0 0 37 41 1 0 0 0 0 18 42 1 0 0 0 0 23 43 1 0 0 0 0 28 44 1 0 0 0 0 M END > LMPR01071009 > 9Z-Capsanthin-5,6-epoxide > (9Z,3S,5R,6S,3'S,5'R)-5,6-Epoxy-3,3'-dihydroxy-5,6-dihydro-beta,kappa-caroten-6'-one > C40H56O4 > 600.42 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > 9-cis-Capsanthin-5,6-epoxide > QAILMWKAKHIIHL-FXVNZRQYSA-N > InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35(43)38(9)27-33(41)25-36(38,5)6)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/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20-/t33-,34+,38-,39-,40+/m1/s1 > C1C(C)(C)[C@@]2(O[C@]2(C)C[C@H]1O)/C=C/C(/C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C([C@]1(C)C(C)(C)C[C@@H](O)C1)=O > - > - > - > - > - > - > 11814033 > - > - > - > - > - > 77334 > 11575972 $$$$