LMPR01070896 LIPID_MAPS_STRUCTURE_DATABASE 41 42 0 0 0 999 V2000 -4.7917 -12.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7917 -13.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9248 -13.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0579 -13.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0579 -12.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9248 -11.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4253 -11.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4243 -11.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1777 -11.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3107 -11.4219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4438 -10.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6585 -13.9322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4296 -11.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2965 -10.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1633 -11.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0302 -10.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8971 -11.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7640 -10.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6309 -11.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4978 -10.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3647 -11.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2316 -10.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0984 -11.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9653 -10.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8322 -11.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6991 -10.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4420 -9.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0302 -9.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3647 -12.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8322 -12.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5475 -11.4194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3936 -10.9311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2466 -11.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1136 -10.9237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1139 -9.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2608 -9.4298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3938 -9.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5388 -12.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7470 -12.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5133 -9.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1892 -13.9333 0.0000 C 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 2 0 0 0 5 6 1 0 0 0 1 6 1 0 0 0 6 7 1 1 0 0 6 8 1 6 0 0 5 9 1 0 0 0 9 10 3 0 0 0 10 11 1 0 0 0 2 12 1 1 0 0 11 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 19 20 1 0 0 0 20 21 2 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 23 24 1 0 0 0 24 25 2 0 0 0 25 26 1 0 0 0 11 27 1 0 0 0 16 28 1 0 0 0 21 29 1 0 0 0 25 30 1 0 0 0 26 31 2 0 0 0 32 31 1 1 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 2 0 0 0 32 37 1 0 0 0 33 38 1 6 0 0 33 39 1 1 0 0 37 40 1 0 0 0 4 41 1 0 0 0 M END > LMPR01070896 > Crocoxanthin > (3R,6'R)-7,8-Didehydro-beta,epsilon-caroten-3-ol > C40H54O > 550.42 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > UNFSUWGHNYXWHO-SEHWBYMQSA-N > InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-23,25,36-37,41H,15,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,30-16+,31-17+,32-20+,33-21+/t36-,37+/m1/s1 > C1[C@@](C)(C)C(C#C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H]2C(C)=CCC[C@]2(C)C)=C(C)C[C@H]1O > - > - > - > - > - > - > 101289802 > - > - > - > - > - > 141464; 402395 > 16218688 $$$$