LMPR01070159 LIPID_MAPS_STRUCTURE_DATABASE 57 58 0 0 0 999 V2000 9.3251 7.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1973 9.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0698 9.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9422 9.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8144 9.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6868 9.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5591 9.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4315 9.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3038 9.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1762 9.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0486 9.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9209 9.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7932 9.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6692 9.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5414 9.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4138 9.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2861 9.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1585 9.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0309 9.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5591 10.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9209 8.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4138 8.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4597 8.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5944 7.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5944 6.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4597 6.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3251 6.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8962 9.3699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7545 9.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7545 10.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8962 11.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0309 10.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1690 11.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1869 6.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5979 8.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7580 8.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3216 8.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0343 8.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 6.3641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6163 11.3565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1973 8.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3355 9.8605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0698 10.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2115 11.3599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2115 12.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0698 12.8523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9316 12.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7934 12.8523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6552 12.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5171 12.8523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3789 12.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2407 12.8523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1025 12.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9645 12.8523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8263 12.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6882 12.8523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3496 12.8523 0.0000 O 0 0 0 0 0 0 0 0 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 2 0 0 0 0 6 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 7 20 1 0 0 0 0 12 21 1 0 0 0 0 16 22 1 0 0 0 0 23 1 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 1 2 0 0 0 0 28 19 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 2 0 0 0 0 19 32 1 0 0 0 0 32 33 1 0 0 0 0 27 34 1 0 0 0 0 23 35 1 0 0 0 0 28 36 1 0 0 0 0 23 37 1 0 0 0 0 28 38 1 0 0 0 0 19 18 1 1 0 0 0 25 39 1 1 0 0 0 30 40 1 6 0 0 0 2 41 1 0 0 0 0 1 41 1 0 0 0 0 42 2 2 0 0 0 0 3 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 45 57 2 0 0 0 0 M END > LMPR01070159 > Siphonaxanthin dodecenoate > (3R,3'R,6'R)-19-(trans-Dodec-2-enoyloxy)-3,3'-dihydroxy-7,8-dihydro-beta,epsilon-caroten-8-one > C52H76O5 > 780.57 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > Siphonaxanthin ester; Siphonein > UERRVASYDCUNEJ-SLVWFMFBSA-N > InChI=1S/C52H76O5/c1-11-12-13-14-15-16-17-18-19-30-50(56)57-38-44(49(55)35-48-43(6)34-46(54)37-52(48,9)10)29-23-28-40(3)25-21-20-24-39(2)26-22-27-41(4)31-32-47-42(5)33-45(53)36-51(47,7)8/h19-33,45-47,53-54H,11-18,34-38H2,1-10H3/b21-20+,26-22+,28-23+,30-19+,32-31+,39-24+,40-25+,41-27+,44-29+/t45-,46+,47-/m0/s1 > C1(CC(=O)/C(/COC(=O)/C=C/CCCCCCCCC)=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](O)CC1(C)C > - > - > 188332 > - > - > - > 16061273 > VCA1077 > - > - > - > - > 2034146 > - $$$$