LMPR01070959 LIPID_MAPS_STRUCTURE_DATABASE 45 48 0 0 0 999 V2000 0.8634 -11.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8634 -12.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7172 -12.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5712 -12.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5712 -11.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7172 -10.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4428 -10.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2969 -11.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1507 -10.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0047 -11.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8586 -10.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7126 -11.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5665 -10.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4205 -11.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2743 -10.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1283 -11.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9822 -10.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8363 -11.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6901 -10.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5441 -11.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3980 -10.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2520 -11.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2241 -9.9530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2102 -9.9530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1012 -10.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9410 -11.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7783 -10.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6168 -11.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4709 -10.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4709 -9.8162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6324 -9.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7784 -9.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1238 -12.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1098 -12.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9090 -9.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2520 -12.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8363 -12.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1507 -9.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5665 -9.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4245 -12.7786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0097 -12.7787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5441 -12.2853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9531 -12.9873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4246 -11.7926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3144 -9.3291 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 1 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 1 0 0 0 27 26 1 1 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 2 0 0 0 27 32 1 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 1 0 0 2 41 1 1 0 0 20 42 1 0 0 0 42 36 1 0 0 0 36 43 2 0 0 0 5 44 1 6 0 0 4 44 1 6 0 0 30 45 2 0 0 0 M END > LMPR01070959 > 3'-Dehydrouriolide > (3S,5R,6S,6'R)-5,6-Epoxy-3-hydroxy-3'-oxo-5,6,7',8'-tetrahydro-beta,epsilon-caroten-19',11'-olide > C40H52O5 > 612.38 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > NGKSEVYOCARGLQ-KFNUOSPMSA-N > InChI=1S/C40H52O5/c1-27(15-12-16-28(2)19-20-40-38(7,8)25-33(42)26-39(40,9)45-40)13-10-11-14-29(3)21-34-23-31(36(43)44-34)17-18-35-30(4)22-32(41)24-37(35,5)6/h10-16,19-23,33,35,42H,17-18,24-26H2,1-9H3/b11-10+,15-12+,20-19+,27-13+,28-16+,29-14+,34-21-/t33-,35-,39+,40-/m0/s1 > C1C(C)(C)[C@@]2(O[C@]2(C)C[C@H]1O)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C1\OC(=O)C(CC[C@H]2C(C)=CC(=O)CC2(C)C)=C\1 > - > - > - > - > - > - > 21773683 > - > - > - > - > - > 41875 > - $$$$