LMPR01070134 LIPID_MAPS_STRUCTURE_DATABASE 43 44 0 0 0 0 0 0 0 0999 V2000 9.3318 7.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1967 8.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0638 7.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9288 8.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7959 7.8746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6609 8.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5279 7.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3929 8.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2600 7.8826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1250 8.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9922 7.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8572 8.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7243 7.8903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5892 8.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4563 7.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3212 8.3964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1883 7.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0532 8.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9205 7.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7853 8.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9265 9.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3906 9.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7265 6.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1907 6.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4646 8.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5998 7.8627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6021 6.8627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4693 6.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3341 6.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6525 7.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5173 8.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5150 9.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6479 9.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7830 9.4044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9158 9.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2013 6.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9627 9.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1544 7.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9627 9.2318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1544 7.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7371 6.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.3800 9.9102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 8.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 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 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 4 21 1 0 0 0 0 8 22 1 0 0 0 0 13 23 1 0 0 0 0 17 24 1 0 0 0 0 25 1 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 1 2 0 0 0 0 30 20 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 33 34 1 0 0 0 0 20 34 2 0 0 0 0 34 35 1 0 0 0 0 29 36 1 0 0 0 0 25 37 1 0 0 0 0 30 38 1 0 0 0 0 25 39 1 0 0 0 0 30 40 1 0 0 0 0 27 41 1 1 0 0 0 32 42 1 1 0 0 0 26 43 1 6 0 0 0 M END > LMPR01070134 > Caloxanthin > (2R,3R,3'R)-beta,beta-Carotene-2,3,3'-triol > C40H56O3 > 584.42 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > PKHJWTKRKQNNJE-RJLXQHJHSA-N > InChI=1S/C40H56O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)27-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)26-37(42)38(43)40(36,9)10/h11-24,34,37-38,41-43H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,37-,38+/m1/s1 > C1(=C(C)C[C@@H](O)[C@H](O)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/C1=C(C)C[C@@H](O)CC1(C)C > C16282 > - > 80419 > - > - > - > 16061255 > VCA1052 > - > - > - > - > 32046 > - $$$$