LMPR01070666 LIPID_MAPS_STRUCTURE_DATABASE 44 45 0 0 0 999 V2000 2.6547 -6.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6547 -7.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5212 -8.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3879 -7.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3879 -6.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5212 -6.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2724 -6.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1392 -6.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0058 -6.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8723 -6.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7391 -6.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6058 -6.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4724 -6.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3391 -6.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2056 -6.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0723 -6.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9389 -6.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8055 -6.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6722 -6.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5389 -6.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4055 -6.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2721 -6.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0209 -5.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0216 -5.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2679 -8.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1341 -6.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9862 -6.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8360 -6.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6869 -6.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5536 -6.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5537 -5.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7028 -4.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8361 -5.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1866 -7.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1873 -7.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9538 -4.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2721 -7.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8055 -7.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0058 -5.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4724 -5.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5210 -9.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7881 -8.1572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7028 -3.6502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4174 -4.6519 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 2 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 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 20 21 1 0 0 0 0 21 22 2 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 4 25 1 0 0 0 0 22 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 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 28 33 2 0 0 0 0 29 34 1 0 0 0 0 29 35 1 0 0 0 0 33 36 1 0 0 0 0 22 37 1 0 0 0 0 18 38 1 0 0 0 0 9 39 1 0 0 0 0 13 40 1 0 0 0 0 3 41 1 1 0 0 0 2 42 1 6 0 0 0 32 43 1 1 0 0 0 31 44 1 1 0 0 0 M END > LMPR01070666 > (3R,4R,3'S,4'R)-Crustaxanthin > (3R,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-JBOPIHFUSA-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-/m1/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 > - > - > - > - > - > - > 163005271 > - > - > - > - > - > 8036 > 10818273 $$$$