LMPR01070814 LIPID_MAPS_STRUCTURE_DATABASE 44 45 0 0 0 999 V2000 3.2801 -12.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2801 -13.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1467 -13.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0136 -13.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0136 -12.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1467 -11.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8982 -11.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7650 -12.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6316 -11.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4984 -12.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3650 -11.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2318 -12.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0985 -11.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9652 -12.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8319 -11.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6986 -12.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5653 -11.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4321 -12.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2987 -11.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1655 -12.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0322 -11.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8989 -12.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6463 -11.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6472 -11.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7608 -11.9040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6131 -12.3961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4630 -11.9054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3140 -12.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1808 -11.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1809 -10.8959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3298 -10.4044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4630 -10.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8136 -13.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8144 -13.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5807 -10.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8989 -13.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4321 -13.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6316 -10.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0985 -10.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8796 -13.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1470 -14.8888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3300 -9.3908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4137 -13.9026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4031 -11.8954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 1 6 1 0 0 0 5 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 6 23 1 0 0 0 6 24 1 0 0 0 22 25 1 0 0 0 25 26 2 0 0 0 27 26 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 27 32 2 0 0 0 28 33 1 0 0 0 28 34 1 0 0 0 32 35 1 0 0 0 22 36 1 0 0 0 18 37 1 0 0 0 9 38 1 0 0 0 13 39 1 0 0 0 4 40 1 0 0 0 3 41 2 0 0 0 31 42 2 0 0 0 2 43 1 1 0 0 1 44 1 6 0 0 M END > LMPR01070814 > 2-Hydroxyadonirubin > (2R,3S)-2,3-Dihydroxy-beta,beta-carotene-4,4'-dione > C40H52O4 > 596.39 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > LGXSSQZQYOIWOB-UKKAEOGLSA-N > InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)35(41)25-26-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)36(42)37(43)38(44)40(34,9)10/h11-24,37-38,43-44H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t37-,38+/m1/s1 > [C@@H]1(O)C(C)(C)C(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C)C(=O)CCC2(C)C)=C(C)C(=O)[C@H]1O > - > - > - > - > - > - > 163036396 > - > - > - > - > - > 136996 > 838596 $$$$