LMPR01070674 LIPID_MAPS_STRUCTURE_DATABASE 44 45 0 0 0 999 V2000 1.6300 -11.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 -12.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4966 -13.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3633 -12.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3633 -11.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4966 -11.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2479 -11.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1146 -11.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9812 -11.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8479 -11.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7147 -11.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5813 -11.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4479 -11.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3146 -11.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1812 -11.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0480 -11.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9146 -11.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7813 -11.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6480 -11.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5147 -11.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3813 -11.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2480 -11.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9962 -10.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9970 -10.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2433 -13.4407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1099 -11.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9621 -11.9261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8120 -11.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6630 -11.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5296 -11.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5297 -10.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6787 -9.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8121 -10.4347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1626 -12.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1633 -12.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9297 -9.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2480 -12.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7813 -12.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9812 -10.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4479 -10.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3633 -13.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7634 -13.4327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2294 -12.4316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3934 -9.9273 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 1 0 0 0 5 6 1 0 0 0 1 6 1 0 0 0 5 7 1 6 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 6 0 0 22 26 1 0 0 0 26 27 2 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 28 33 2 0 0 0 29 34 1 0 0 0 29 35 1 0 0 0 33 36 1 0 0 0 22 37 1 0 0 0 18 38 1 0 0 0 9 39 1 0 0 0 13 40 1 0 0 0 4 41 1 1 0 0 2 42 1 1 0 0 5 43 1 1 0 0 31 44 1 1 0 0 M END > LMPR01070674 > Karpoxanthin > (3S,5R,6R,3'R)-5,6-Dihydro-beta,beta-carotene-3,5,6,3'-tetrol > C40H58O4 > 602.43 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > DJOWTWWHMWQATC-SZYTUFQFSA-N > InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-24,34-35,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/s1 > C1C(C)(C)[C@](O)(/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)C[C@@H](O)CC2(C)C)[C@](C)(O)C[C@H]1O > - > - > 176198 > - > - > - > 23258401 > - > - > - > - > - > 3764 > - $$$$