LMPR01070680 LIPID_MAPS_STRUCTURE_DATABASE 47 48 0 0 0 999 V2000 3.6327 -11.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6327 -12.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4846 -13.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3865 -12.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3865 -11.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4846 -11.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2384 -11.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1403 -11.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9922 -11.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8441 -11.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7460 -11.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5979 -11.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4497 -11.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3517 -11.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2036 -11.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0554 -11.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9574 -11.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8092 -11.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6612 -11.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5631 -11.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4150 -11.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2668 -11.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9835 -10.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9857 -10.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2384 -13.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1688 -11.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2668 -12.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8092 -12.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9922 -10.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4497 -10.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7809 -13.4369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0206 -10.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8725 -10.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7244 -10.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5762 -10.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5762 -9.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7244 -8.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8725 -9.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2232 -11.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2254 -11.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9705 -8.9270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6131 -8.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4462 -8.9305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2969 -9.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1533 -8.9368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2927 -10.4303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4720 -14.4461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 1 6 1 0 0 0 5 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 6 23 1 0 0 0 6 24 1 0 0 0 4 25 1 0 0 0 26 22 1 1 0 0 22 27 1 0 0 0 18 28 1 0 0 0 9 29 1 0 0 0 13 30 1 0 0 0 2 31 1 1 0 0 26 32 2 0 0 0 32 33 2 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 33 38 1 0 0 0 34 39 1 0 0 0 34 40 1 0 0 0 38 41 1 6 0 0 38 42 1 1 0 0 36 43 1 1 0 0 43 44 1 0 0 0 44 45 1 0 0 0 44 46 2 0 0 0 3 47 1 1 0 0 M END > LMPR01070680 > Corbiculaxanthin 3'-acetate > (3S,3'S,4'R,5'R,6'R)-3'-Ethanoyloxy-6',7'-didehydro-3,4,5'-triol > C42H58O5 > 642.43 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > SCJRNAKKXUSBHB-SCIFPNSYSA-N > InChI=1S/C42H58O5/c1-29(18-14-20-31(3)22-24-36-33(5)39(45)37(44)28-40(36,7)8)16-12-13-17-30(2)19-15-21-32(4)23-25-38-41(9,10)26-35(47-34(6)43)27-42(38,11)46/h12-24,35,37,39,44-46H,26-28H2,1-11H3/b13-12+,18-14+,19-15+,24-22+,29-16+,30-17+,31-20+,32-21+/t25-,35-,37-,39+,42+/m0/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@@]=C2[C@](C)(O)C[C@@H](OC(=O)C)CC2(C)C)=C(C)[C@@H](O)[C@H]1O > - > - > - > - > - > - > 11520205 > - > - > - > - > - > 45948 > 16218688 $$$$