LMPR01070665 LIPID_MAPS_STRUCTURE_DATABASE 44 45 0 0 0 999 V2000 2.7047 -9.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7047 -10.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5713 -10.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4380 -10.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4380 -9.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5713 -8.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3225 -8.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1892 -9.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0558 -8.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9224 -9.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7891 -8.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6558 -9.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5224 -8.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3891 -9.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2556 -8.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1224 -9.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9889 -8.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8556 -9.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7222 -8.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5889 -9.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4555 -8.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3222 -9.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0709 -8.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0716 -8.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3179 -10.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1841 -8.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0362 -9.4694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8861 -8.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7370 -9.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6037 -8.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6037 -7.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7528 -7.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8862 -7.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2367 -10.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2373 -10.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0039 -7.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3222 -10.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8556 -10.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0558 -7.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5224 -7.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5710 -11.9688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8381 -10.9759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7529 -6.4689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4675 -7.4706 0.0000 O 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 5 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 14 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 6 23 1 0 0 0 6 24 1 0 0 0 4 25 1 0 0 0 22 26 1 0 0 0 26 27 2 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 28 33 2 0 0 0 29 34 1 0 0 0 29 35 1 0 0 0 33 36 1 0 0 0 22 37 1 0 0 0 18 38 1 0 0 0 9 39 1 0 0 0 13 40 1 0 0 0 3 41 1 1 0 0 2 42 1 1 0 0 32 43 1 1 0 0 31 44 1 1 0 0 M END > LMPR01070665 > (3S,4R,3'S,4'R)-Crustaxanthin > (3S,4R,3'S,4'R)-beta,beta-Carotene-3,4,3',4'-tetrol > C40H56O4 > 600.42 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > BHCRLQHBUDRLQM-MMWWBHQNSA-N > InChI=1S/C40H56O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-38,41-44H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-,37+,38+/m0/s1 > C1C(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/C2=C(C)[C@@H](O)[C@@H](O)CC2(C)C)=C(C)[C@@H](O)[C@H]1O > - > - > - > - > - > - > 14631341 > - > - > - > - > - > 8036; 45948 > 10818273; 16218688 $$$$