LMPR01070194 LIPID_MAPS_STRUCTURE_DATABASE 43 44 0 0 0 999 V2000 9.3197 7.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1903 8.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0608 7.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9314 8.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8019 7.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6724 8.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5430 7.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4135 8.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2841 7.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1546 8.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0252 7.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8956 8.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7662 7.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6369 8.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5073 7.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3779 8.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2484 7.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1188 8.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9896 7.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8600 8.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9314 9.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4135 9.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7662 6.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2484 6.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4563 8.3535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5927 7.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5927 6.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4563 6.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3197 6.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7235 7.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5800 8.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5800 9.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7235 9.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8600 9.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5962 8.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5835 7.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3163 8.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8634 7.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7327 6.3642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.4401 9.8463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1798 6.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.8568 0.0000 O 0 0 0 0 0 0 0 0 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 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 2 0 0 0 0 20 34 1 0 0 0 0 25 35 1 1 0 0 0 30 36 1 1 0 0 0 25 37 1 6 0 0 0 30 38 1 6 0 0 0 27 39 1 1 0 0 0 32 40 1 1 0 0 0 1 2 1 1 0 0 0 29 41 1 1 0 0 0 34 42 1 0 0 0 0 20 19 1 0 0 0 0 20 43 1 1 0 0 0 M END > LMPR01070194 > Deepoxysalmoxanthin > (3R,3'S,6'R)-beta,epsilon-Carotene-3,3',6'-triol > C40H56O3 > 584.42 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > SYNAJGXENWULAN-XLADMQLYSA-N > InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-37-33(5)25-35(41)27-38(37,7)8)15-11-12-16-30(2)18-14-20-32(4)23-24-40(43)34(6)26-36(42)28-39(40,9)10/h11-24,26,35-36,41-43H,25,27-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t35-,36-,40+/m1/s1 > C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@@]1(C(=C[C@H](CC1(C)C)O)C)O)/C=C/C=C(\C)/C=C/C1=C(C)C[C@H](CC1(C)C)O > - > - > - > - > - > - > 10793441 > VCA1112 > - > - > - > - > 8018 > 11325236 $$$$