LMPR01070749 LIPID_MAPS_STRUCTURE_DATABASE 49 51 0 0 0 999 V2000 11.0517 -9.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9215 -9.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7738 -9.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6260 -9.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4784 -9.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3305 -9.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1828 -9.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0351 -9.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8874 -9.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7395 -9.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5919 -9.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4440 -9.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2962 -9.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 -9.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0007 -9.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8530 -9.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7054 -9.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5527 -9.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3908 -9.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2265 -9.1693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0633 -9.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9156 -9.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9157 -8.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0788 -7.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2266 -8.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5713 -10.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5553 -10.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8006 -7.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7054 -10.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2962 -10.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6260 -8.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0351 -8.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5527 -8.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4950 -10.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6427 -10.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6427 -11.6253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4950 -12.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3472 -11.6253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3472 -10.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7904 -12.1174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1994 -12.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3472 -12.6094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0030 -9.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9870 -9.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1994 -10.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7680 -7.6845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9383 -11.6253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0860 -12.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9383 -10.6413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 18 17 1 1 0 0 0 18 19 1 0 0 0 0 20 19 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 20 25 1 0 0 0 0 21 26 1 0 0 0 0 21 27 1 0 0 0 0 25 28 1 1 0 0 0 17 29 1 0 0 0 0 13 30 1 0 0 0 0 4 31 1 0 0 0 0 8 32 1 0 0 0 0 18 33 1 0 0 0 0 25 33 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 37 38 1 0 0 0 0 38 39 1 0 0 0 0 34 39 1 0 0 0 0 36 40 1 1 0 0 0 38 41 1 1 0 0 0 38 42 1 6 0 0 0 34 43 1 0 0 0 0 34 44 1 0 0 0 0 39 45 2 0 0 0 0 45 1 2 0 0 0 0 23 46 1 1 0 0 0 47 48 1 0 0 0 0 40 47 1 0 0 0 0 47 49 2 0 0 0 0 M END > LMPR01070749 > Dinochrome B > (3S,5R,6R,3'S,5'R,8'S)-5',8'-epoxy-6,7-didehydro-5,6,5',8'-tetrahydro-β,β-carotene-3,5,3'-triol 3-O-acetate > C44H60O5 > 668.44 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > DYTLPXMYTFXUBJ-ZPHPPGIZSA-N > InChI=1S/C44H60O5/c1-31(21-16-22-32(2)20-14-15-25-39-42(8,9)29-37(48-35(5)45)30-43(39,10)47)18-12-13-19-33(3)23-17-24-34(4)38-26-40-41(6,7)27-36(46)28-44(40,11)49-38/h12-24,26,36-38,46-47H,27-30H2,1-11H3/b13-12+,20-14+,21-16+,23-17+,31-18+,32-22+,33-19+,34-24+/t25-,36-,37-,38-,43+,44+/m0/s1 > C(=[C@@]=C1C(C)(C)C[C@H](OC(=O)C)C[C@]1(O)C)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/[C@H]1O[C@@]2(C)C(C(C)(C)C[C@H](O)C2)=C1 > - > - > - > - > - > - > 163057335 > - > - > - > - > - > 2868 > 12499607 $$$$