LMPR01070802 LIPID_MAPS_STRUCTURE_DATABASE 44 45 0 0 0 999 V2000 16.5558 -11.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5555 -11.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0553 -11.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1647 -11.8461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0551 -11.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5617 -12.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0553 -10.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5547 -12.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0546 -13.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5547 -14.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5618 -14.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0620 -13.6393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6884 -12.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5547 -11.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0552 -13.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1563 -11.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6569 -12.7182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6572 -12.7177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1579 -13.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1581 -13.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6587 -14.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6591 -14.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1597 -15.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1636 -13.5735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1563 -13.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1581 -15.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6576 -16.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6579 -16.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1573 -17.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1576 -17.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1668 -15.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6639 -17.9180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1676 -18.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6670 -19.6425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6673 -19.6434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1635 -18.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6642 -17.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0562 -15.3691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0557 -15.3613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6642 -16.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3712 -17.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1487 -18.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1591 -20.5209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.1639 -20.5055 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 1 4 1 0 0 0 3 5 2 0 0 0 5 6 1 0 0 0 2 7 1 0 0 0 6 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 6 12 2 0 0 0 8 13 1 0 0 0 8 14 1 0 0 0 12 15 1 0 0 0 4 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 22 23 1 0 0 0 17 24 1 0 0 0 22 25 1 0 0 0 23 26 2 0 0 0 26 27 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 30 32 1 0 0 0 32 33 2 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 10 38 1 0 0 0 11 39 2 0 0 0 37 40 1 0 0 0 37 41 1 0 0 0 33 42 1 0 0 0 34 43 2 0 0 0 35 44 1 0 0 0 M END > LMPR01070802 > (9Z)-Astaxanthin > (9Z)-3,3'-Dihydroxy-beta,beta-carotene-4,4'-dione > C40H52O4 > 596.39 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > MQZIGYBFDRPAKN-OQXZKPHASA-N > InChI=1S/C40H52O4/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/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19-,30-20+ > C(/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1C(C)(C)CC(O)C(=O)C=1C)=C(\C)/C=C/C1=C(C)C(=O)C(O)CC1(C)C > - > - > - > - > - > - > 71509916 > - > - > - > - > - > 32644 > 17416351 $$$$