LMPR01070399 LIPID_MAPS_STRUCTURE_DATABASE 45 46 0 0 0 999 V2000 24.0185 7.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0185 6.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8807 7.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1531 7.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2878 7.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4201 7.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5201 7.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6873 7.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8218 7.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9566 7.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0888 7.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1865 7.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3558 7.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4905 7.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6253 7.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7576 7.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5201 6.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1865 8.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7576 8.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8861 7.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7516 8.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6191 8.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4844 8.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3475 8.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3475 9.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4844 10.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6191 9.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6191 7.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3498 7.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2151 10.3566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7516 10.3566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0177 7.8669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8807 6.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1525 5.8607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0146 5.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0146 4.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1486 4.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2826 4.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2826 5.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1486 6.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6736 7.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4736 6.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0146 4.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1883 3.8759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4165 4.3607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 5 2 0 0 0 0 7 6 1 0 0 0 0 8 7 2 0 0 0 0 9 8 1 0 0 0 0 10 9 2 0 0 0 0 11 10 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 3 1 0 0 0 0 7 17 1 0 0 0 0 12 18 1 0 0 0 0 16 19 1 0 0 0 0 20 1 1 0 0 0 0 20 21 3 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 25 26 1 0 0 0 0 26 27 1 0 0 0 0 22 27 2 0 0 0 0 23 28 1 0 0 0 0 23 29 1 0 0 0 0 25 30 1 1 0 0 0 27 31 1 0 0 0 0 32 3 2 0 0 0 0 33 3 1 0 0 0 0 2 34 1 0 0 0 33 35 2 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 35 1 0 0 0 40 41 1 0 0 0 40 42 1 0 0 0 36 43 1 1 0 0 36 44 1 0 0 0 38 45 1 1 0 0 M END > LMPR01070399 > > (3R,3'R,5S)-3,3',5,19'-tetrahydroxy-7',8'-didehydro-gamma,epsilon-carotene-8-one > C40H54O5 > 614.40 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > FLFJZZNKVVNCFQ-YBZZSZPVSA-N > InChI=1S/C40H54O5/c1-28(16-12-18-30(3)36(44)23-37-39(7,8)25-34(43)26-40(37,9)45)14-10-11-15-29(2)17-13-19-32(27-41)20-21-35-31(4)22-33(42)24-38(35,5)6/h10-19,23,33-34,41-43,45H,22,24-27H2,1-9H3/b11-10+,16-12+,17-13+,28-14+,29-15+,30-18+,32-19-,37-23+/t33-,34+,40-/m1/s1 > C(/C#CC1=C(C)C[C@@H](O)CC1(C)C)(=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C(/C=C1\C(C)(C)C[C@H](O)C[C@]\1(O)C)=O)\CO > - > - > - > - > - > - > 11227325 > - > - > - > - > - > 6057 > 15787458 $$$$