LMPR01070815 LIPID_MAPS_STRUCTURE_DATABASE 44 45 0 0 0 999 V2000 5.9980 -11.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8539 -10.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7099 -11.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5659 -10.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4219 -11.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3282 -10.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1841 -11.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0401 -10.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8961 -11.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7521 -10.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6080 -11.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4640 -10.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3200 -11.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2263 -10.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0823 -11.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9382 -10.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0963 -10.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9019 -9.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7579 -10.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6139 -9.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6139 -8.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7579 -8.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9019 -8.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2544 -10.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2614 -10.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0460 -8.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0823 -12.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6080 -12.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8539 -9.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3282 -9.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4698 -8.1041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7579 -7.0971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 -10.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4734 -11.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4734 -12.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3294 -12.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1853 -12.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1853 -11.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3294 -10.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8259 -9.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8329 -9.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 -12.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6174 -12.7867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3294 -13.7938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 16 17 3 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 18 23 2 0 0 0 19 24 1 0 0 0 19 25 1 0 0 0 23 26 1 0 0 0 15 27 1 0 0 0 11 28 1 0 0 0 2 29 1 0 0 0 6 30 1 0 0 0 21 31 1 1 0 0 22 32 1 1 0 0 1 33 2 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 2 0 0 0 38 39 1 0 0 0 34 39 1 0 0 0 38 33 1 0 0 0 39 40 1 0 0 0 39 41 1 0 0 0 37 42 1 0 0 0 35 43 1 1 0 0 36 44 2 0 0 0 M END > LMPR01070815 > (3S,3'S,4'R)-4-Keto-4'-hydroxydiatoxanthin > (3S,3'S,4'R)-3,3',4'-Trihydroxy-7',8'-didehydro-beta,beta-caroten-4-one > C40H52O4 > 596.39 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > OZTXZZFLUCKUIZ-CHOAXSPLSA-N > InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-21,23,35-36,38,41-42,44H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,27-15+,28-16+,29-19+,30-20+/t35-,36-,38+/m0/s1 > C(=C/C1C(C)(C)C[C@H](O)C(=O)C=1C)\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C#CC1=C(C)[C@@H](O)[C@@H](O)CC1(C)C > - > - > - > - > - > - > 101038553 > - > - > - > - > - > 7957 > - $$$$