LMPR01070923 LIPID_MAPS_STRUCTURE_DATABASE 43 45 0 0 0 999 V2000 1.1750 -11.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -12.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0310 -13.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8871 -12.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8871 -11.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0310 -11.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7609 -11.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6171 -11.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4730 -11.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3291 -11.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1853 -11.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 -11.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8972 -11.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7533 -11.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6094 -11.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4655 -11.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3215 -11.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1776 -11.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0337 -11.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8897 -11.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7458 -11.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6019 -11.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5367 -10.6253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5252 -10.6253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0655 -13.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4532 -11.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2949 -11.9701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1345 -11.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9750 -11.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8311 -11.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8312 -10.4881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9906 -10.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1345 -10.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6019 -12.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1776 -12.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4730 -10.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8972 -10.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2858 -10.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3193 -13.4581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5650 -12.9641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4685 -12.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7072 -9.9824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4815 -12.8255 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 1 0 0 0 5 6 1 0 0 0 1 6 1 0 0 0 5 7 2 0 0 0 7 8 1 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 1 0 0 22 26 1 0 0 0 26 27 2 0 0 0 28 27 1 1 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 2 0 0 0 28 33 1 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 2 39 1 1 0 0 4 40 1 6 0 0 29 41 1 0 0 0 31 42 1 6 0 0 29 43 1 0 0 0 8 40 1 1 0 0 M END > LMPR01070923 > Chrysanthemaxanthin > (3S,5R,8S,3'R,6'R)-5,8-Epoxy-5,8-dihydro-beta,epsilon-carotene-3,3'-diol > C40H56O3 > 584.42 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > JRHJXXLCNATYLS-SOOLLQOPSA-N > InChI=1S/C40H56O3/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36-24-37-39(8,9)26-34(42)27-40(37,10)43-36/h11-24,33-36,41-42H,25-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t33-,34-,35-,36-,40+/m0/s1 > C1C(C)(C)C2=C[C@H](O[C@]2(C)C[C@H]1O)/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H]1C(C)=C[C@H](O)CC1(C)C > - > - > - > - > - > - > 21160900 > - > - > - > - > - > 50225; 41496 > 13198857 $$$$