LMPR01070961 LIPID_MAPS_STRUCTURE_DATABASE 46 48 0 0 0 999 V2000 -9.9201 2.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7732 2.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7732 1.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9201 0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0672 1.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0672 2.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2141 2.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3611 3.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5080 3.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6551 3.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5080 4.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8020 3.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9490 3.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0961 3.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2430 3.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 3.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5369 3.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 3.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1691 3.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0221 3.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8751 3.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7281 3.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5812 3.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4341 3.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2871 5.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4341 4.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2871 3.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1402 3.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1402 4.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5812 5.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9933 5.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7947 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7796 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4126 3.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4276 3.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6262 0.7739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.4791 1.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3322 0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4791 2.2514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2141 0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0672 0.2814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8751 2.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1691 2.2514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5716 1.5550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5812 4.2213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5369 2.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 2 0 0 0 0 8 9 1 1 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 24 23 1 1 0 0 0 10 12 1 0 0 0 0 25 26 2 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 25 29 1 0 0 0 0 26 24 1 0 0 0 0 24 27 1 0 0 0 0 26 30 1 0 0 0 0 29 31 2 0 0 0 0 27 32 1 0 0 0 0 27 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 3 36 1 1 0 0 0 37 38 1 0 0 0 0 36 37 1 0 0 0 0 37 39 2 0 0 0 0 5 40 1 1 0 0 0 5 41 1 6 0 0 0 21 42 1 0 0 0 0 19 43 1 0 0 0 0 43 42 1 0 0 0 0 42 44 2 0 0 0 0 24 45 1 6 0 0 0 17 46 1 0 0 0 0 M END > LMPR01070961 > (3S,5R,6'S)-3-ethanoyloxy-5,6'-dihydroxy-5,67,8-tetradehydro-11',19'-olide-20-nor-beta,epsilon-caroten-3'-one > (3S,5R,6'S)-3-ethanoyloxy-5,6'-dihydroxy-5,67,8-tetradehydro-11',19'-olide-20-nor-beta,epsilon-caroten-3'-one > C39H48O7 > 628.34 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > SXOGJBMNSIHZFB-PAWAGGJUSA-N > InChI=1S/C39H48O7/c1-26(16-17-34-36(5,6)24-33(45-29(4)40)25-38(34,9)43)14-12-10-11-13-15-27(2)20-32-22-30(35(42)46-32)18-19-39(44)28(3)21-31(41)23-37(39,7)8/h10-16,18-22,33,43-44H,23-25H2,1-9H3/b12-10+,13-11+,19-18+,26-14+,27-15+,32-20-/t17-,33-,38+,39+/m0/s1 > C/C(=C\C=C\C=C\C=C(/C)\C=C/1\C=C(/C=C/[C@]2(C(=CC(=O)CC2(C)C)C)O)C(=O)O1)/C=C=C1C(C)(C)C[C@@H](C[C@@]1(C)O)OC(=O)C > - > - > - > - > - > - > 11104139 > - > - > - > - > - > 29159 > 11374947 $$$$