LMPR01070874 LIPID_MAPS_STRUCTURE_DATABASE 45 48 0 0 0 999 V2000 3.3518 -11.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3518 -12.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1906 -12.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0293 -12.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0293 -11.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1906 -10.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8855 -10.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7243 -11.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5630 -10.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4017 -11.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2405 -10.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0793 -11.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9179 -10.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7567 -11.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5954 -10.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4344 -11.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2729 -10.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1117 -11.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9505 -10.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7892 -11.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7064 -10.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6748 -10.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5131 -12.8130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5630 -9.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2405 -9.9074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8791 -9.2236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9179 -9.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7892 -12.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6279 -10.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4668 -10.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3055 -9.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1279 -10.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9667 -9.8984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9669 -8.9298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1447 -8.4548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3057 -8.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6436 -11.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6121 -11.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8105 -8.4429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4508 -8.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9030 -12.8331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6823 -8.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5138 -8.4656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6828 -9.9432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7010 -12.3287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 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 1 6 1 0 0 0 0 5 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 2 23 1 1 0 0 0 9 24 1 0 0 0 0 11 25 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 13 27 1 0 0 0 0 20 28 1 0 0 0 0 29 20 1 0 0 0 0 29 30 3 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 31 36 2 0 0 0 0 32 37 1 0 0 0 0 32 38 1 0 0 0 0 34 39 1 1 0 0 0 36 40 1 0 0 0 0 4 41 1 1 0 0 0 39 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 2 0 0 0 0 4 45 1 0 0 0 0 8 45 1 0 0 0 0 M END > LMPR01070874 > Pyrrhoxanthin 5,8-furanoxide > (3S,5R,6S,3'R)-5,8-Epoxy-3'-ethanoyloxy-3-hydroxy-6,7,7',8'-tetradehydro-5,6,7,8-tetrahydro-12',13',20'-trinor-beta,beta-caroten-19,11-olide > C39H48O6 > 612.35 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > FBTFPENKSFBRHH-SVHHAJEZSA-N > InChI=1S/C39H48O6/c1-25(16-17-33-27(3)19-31(43-28(4)40)24-37(33,5)6)14-12-10-11-13-15-26(2)18-30-20-32(36(42)44-30)34-21-35-38(7,8)22-29(41)23-39(35,9)45-34/h10-15,18,20-21,29,31,34,41H,19,22-24H2,1-9H3/b12-10+,13-11+,25-14+,26-15+,30-18-/t29-,31+,34?,39+/m0/s1 > C1C(C)(C)C2=CC(O[C@]2(C)C[C@H]1O)C1C(=O)O/C(=C\C(\C)=C\C=C\C=C\C=C(\C#CC2=C(C)C[C@@H](OC(=O)C)CC2(C)C)/C)/C=1 > - > - > - > - > - > - > 21778311 > - > - > - > - > - > 141464 > 16218688 $$$$