LMPR01070038 LIPID_MAPS_STRUCTURE_DATABASE 42 43 0 0 0 0 0 0 0 0999 V2000 7.5960 7.8622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5978 6.8621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4646 6.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3298 6.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3281 7.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4612 8.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9597 9.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9598 9.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1968 6.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1932 8.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0602 7.8680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9254 8.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7922 7.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6575 8.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5243 7.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3895 8.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2564 7.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1215 8.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9884 7.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8535 8.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7204 7.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5854 8.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4524 7.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3175 8.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1844 7.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0495 8.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9165 7.8918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7817 8.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9237 9.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3877 9.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7221 6.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1861 6.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6485 7.8947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5137 8.3961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5121 9.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6451 9.8947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7800 9.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1500 7.0278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1499 7.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9131 9.8918 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 28.3771 9.8977 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 2 0 0 0 0 4 5 1 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 1 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 > LMPR01070038 > Tunaxanthin J > (3S,6R,3'S,6'R)-epsilon,epsilon-Carotene-3,3'-diol > C40H56O2 > 568.43 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > Chiriquixanthin B > BIPAHAFBQLWRMC-JDTCNTSWSA-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/h11-26,35-38,41-42H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-,37+,38+/m1/s1 > C1C(C)(C)[C@@H](/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 > - > - > - > - > - > - > 16061201 > VCA0036 > - > - > - > - > 72076; 47579 > - $$$$