LMPR01070820 LIPID_MAPS_STRUCTURE_DATABASE 44 45 0 0 0 999 V2000 14.4626 -15.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4626 -16.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3298 -16.9701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1972 -16.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1972 -15.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3298 -14.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0824 -14.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9499 -15.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8171 -14.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6844 -15.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5518 -14.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4191 -15.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2863 -14.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1536 -15.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0209 -14.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8883 -15.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7556 -14.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6229 -15.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4902 -14.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3575 -15.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2248 -14.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0921 -15.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8291 -14.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8305 -14.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0779 -16.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9547 -14.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8074 -15.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6580 -14.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.5096 -15.4630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3770 -14.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3770 -13.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.5253 -13.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6581 -13.9699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0921 -16.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6229 -16.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8171 -13.9657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2863 -13.9657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7982 -13.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2407 -15.4611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5790 -14.9578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5957 -16.9698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3303 -17.9494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.0096 -16.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0095 -16.3290 0.0000 C 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 4 25 1 0 0 0 22 26 1 0 0 0 26 27 2 0 0 0 28 27 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 32 33 1 0 0 0 28 33 2 0 0 0 22 34 1 0 0 0 18 35 1 0 0 0 9 36 1 0 0 0 13 37 1 0 0 0 33 38 1 0 0 0 30 39 1 0 0 0 1 40 1 0 0 0 2 41 1 0 0 0 3 42 2 0 0 0 29 43 1 0 0 0 29 44 1 0 0 0 M END > LMPR01070820 > 2,3,2'-Trihydroxy-4-keto-beta-carotene > 2,3,2'-Trihydroxy-beta,beta-caroten-4-one > C40H54O4 > 598.40 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > OLIAXBXWEYGVEK-DCHHKURBSA-N > InChI=1S/C40H54O4/c1-27(17-13-19-29(3)21-24-33-31(5)23-26-35(41)39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-25-34-32(6)36(42)37(43)38(44)40(34,9)10/h11-22,24-25,35,37-38,41,43-44H,23,26H2,1-10H3/b12-11+,17-13+,18-14+,24-21+,25-22+,27-15+,28-16+,29-19+,30-20+ > C1(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)CCC(O)C2(C)C)=C(C)C(=O)C1O > - > - > - > - > - > - > 87458836 > - > - > - > - > - > 2622653 > 27299394 $$$$