LMPR01070030 LIPID_MAPS_STRUCTURE_DATABASE 42 43 0 0 0 999 V2000 7.6054 7.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6009 6.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4646 6.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3330 6.8490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3374 7.8490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4736 8.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9774 9.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9775 9.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1966 6.3451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2056 8.3451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0694 7.8412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9376 8.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8014 7.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6697 8.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5335 7.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4017 8.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2655 7.8181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1338 8.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9976 7.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8659 8.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7296 7.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5979 8.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4618 7.7948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3300 8.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1937 7.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0619 8.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9258 7.7793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7940 8.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9421 9.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4062 9.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7252 6.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1892 6.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6578 7.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5260 8.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5305 9.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6668 9.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7985 9.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1539 6.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1539 6.9033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9348 9.7793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 6.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.3988 9.7639 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 6 7 1 0 0 0 0 6 8 1 0 0 0 0 4 9 1 0 0 0 0 5 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 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 28 27 1 1 0 0 0 12 29 1 0 0 0 0 16 30 1 0 0 0 0 21 31 1 0 0 0 0 25 32 1 0 0 0 0 28 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 28 37 1 0 0 0 0 33 38 1 0 0 0 0 33 39 1 0 0 0 0 37 40 1 0 0 0 0 2 41 1 1 0 0 0 35 42 1 1 0 0 0 M END > LMPR01070030 > Lutein B > (3R,3'S,6'R)-beta,epsilon-Carotene-3,3'-diol > C40H56O2 > 568.43 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > Calthaxanthin; 3'-Epilutein > KBPHJBAIARWVSC-IRHPOQNPSA-N > InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-,37+/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/[C@H]2C(C)=C[C@@H](O)CC2(C)C)=C(C)C[C@H]1O > C08601 > HMDB0003415 > 176081 > - > - > - > 10210008 > VCA0028 > - > - > - > - > 235511; 9606 > 9286269 $$$$