LMPR01070884 LIPID_MAPS_STRUCTURE_DATABASE 45 47 0 0 0 999 V2000 14.8826 -11.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7497 -11.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6167 -11.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4838 -11.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3508 -11.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2178 -11.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0849 -11.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9519 -11.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8188 -11.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6859 -11.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5529 -11.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4199 -11.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2869 -11.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1539 -11.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6167 -10.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0849 -10.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4199 -12.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0004 -11.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8675 -11.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7344 -11.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6014 -11.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8675 -12.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4579 -11.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3076 -11.6090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1746 -11.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1746 -10.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3249 -9.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4579 -10.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5736 -9.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8071 -12.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8082 -12.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0516 -9.6009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0066 -11.6182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1009 -11.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4374 -11.9517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9331 -12.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9029 -12.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6609 -13.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6279 -12.9730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4574 -14.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5221 -13.7337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5243 -13.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6003 -10.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3600 -10.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5909 -10.6179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 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 3 15 1 0 0 0 7 16 1 0 0 0 12 17 1 0 0 0 14 18 1 0 0 0 18 19 2 0 0 0 19 20 1 0 0 0 20 21 2 0 0 0 19 22 1 0 0 0 23 21 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 23 28 1 0 0 0 28 29 1 1 0 0 24 30 1 0 0 0 24 31 1 0 0 0 26 32 1 1 0 0 1 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 33 37 2 0 0 0 37 38 1 0 0 0 38 39 2 0 0 0 38 40 1 0 0 0 36 41 1 0 0 0 41 42 1 0 0 0 34 43 1 0 0 0 34 44 1 0 0 0 28 45 1 6 0 0 23 45 1 6 0 0 M END > LMPR01070884 > 5',6'-Epoxy-3'-hydroxy-3-methoxy-4,5-didehydro-5',6'-dihydro-4,6-cyclo-5,6-seco-beta,beta-caroten-5-one > 5',6'-Epoxy-3'-hydroxy-3-methoxy-4,5-didehydro-5',6'-dihydro-4,6-cyclo-5,6-seco-beta,beta-caroten-5-one > C41H56O4 > 612.42 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > TZVLSBKJAVHHRO-MABFWCCPSA-N > InChI=1S/C41H56O4/c1-29(18-14-20-31(3)22-23-35-37(33(5)42)36(44-11)28-38(35,6)7)16-12-13-17-30(2)19-15-21-32(4)24-25-41-39(8,9)26-34(43)27-40(41,10)45-41/h12-25,34,36,43H,26-28H2,1-11H3/b13-12+,18-14+,19-15+,23-22+,25-24+,29-16+,30-17+,31-20+,32-21+/t34-,36?,40+,41-/m0/s1 > C(/C1=C(C(C)=O)C(OC)CC1(C)C)=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C > - > - > - > - > - > - > 15515567 > - > - > - > - > - > 43073 > 11515590 $$$$