LMPR01070885 LIPID_MAPS_STRUCTURE_DATABASE 45 47 0 0 0 999 V2000 5.0082 -4.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8586 -4.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7091 -4.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6095 -4.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4600 -4.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3105 -4.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2109 -4.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0614 -4.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9118 -4.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8123 -4.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6628 -4.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5132 -4.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7091 -3.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2109 -3.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1077 -4.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2072 -4.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5569 -5.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0571 -6.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0076 -5.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7580 -6.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7085 -6.1575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5579 -7.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6069 -6.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6063 -7.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7069 -3.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4573 -3.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1146 -4.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9651 -4.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9651 -5.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8656 -6.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8155 -4.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8656 -7.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6660 -7.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6660 -8.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8155 -9.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9651 -8.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9651 -7.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0646 -7.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1662 -6.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7165 -7.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8155 -10.2597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9651 -6.7578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2642 -4.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3637 -4.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5132 -5.8073 0.0000 C 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 3 13 1 0 0 0 7 14 1 0 0 0 1 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 15 19 2 0 0 0 19 20 1 0 0 0 20 21 2 0 0 0 20 22 1 0 0 0 18 23 1 0 0 0 23 24 1 0 0 0 16 25 1 0 0 0 16 26 1 0 0 0 27 28 2 0 0 0 28 29 1 0 0 0 29 30 2 0 0 0 28 31 1 0 0 0 32 30 1 6 0 0 32 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 32 37 1 0 0 0 37 38 1 6 0 0 33 39 1 0 0 0 33 40 1 0 0 0 35 41 1 6 0 0 37 42 1 1 0 0 32 42 1 1 0 0 43 44 2 0 0 0 27 43 1 0 0 0 44 12 1 0 0 0 12 45 1 0 0 0 M END > LMPR01070885 > (9'Z)-5',6'-Epoxy-3'-hydroxy-3-methoxy-4,5-didehydro-5',6'-dihydro-4,6-cyclo-5,6-seco-beta,beta-caroten-5-one > (9'Z)-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-DMHWPZIDSA-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 > - > - > - > - > - > - > 15515566 > - > - > - > - > - > 43073 > 11515590 $$$$