LMPR01070675 LIPID_MAPS_STRUCTURE_DATABASE 44 45 0 0 0 999 V2000 2.7795 -11.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7795 -12.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6461 -13.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5129 -12.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5129 -11.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6461 -11.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3974 -11.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2641 -11.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1307 -11.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9973 -11.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8640 -11.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7306 -11.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5971 -11.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4639 -11.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3304 -11.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1972 -11.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0638 -11.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9304 -11.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7971 -11.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6637 -11.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5303 -11.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3970 -11.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1458 -10.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1465 -10.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3928 -13.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2589 -11.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1110 -11.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9608 -11.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8118 -11.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6784 -11.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6785 -10.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8276 -9.7339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9609 -10.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3114 -12.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3121 -12.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0787 -9.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3970 -12.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9304 -12.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1307 -10.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5971 -10.2301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6459 -14.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9131 -13.2320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8277 -8.7251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5423 -9.7267 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 1 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 28 27 1 1 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 1 0 0 0 29 34 1 0 0 0 29 35 1 0 0 0 33 36 1 6 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 3 41 1 1 0 0 2 42 1 1 0 0 32 43 1 1 0 0 31 44 1 1 0 0 M END > LMPR01070675 > 3,4,3',4'-Tetrahydroxypirardixanthin > (3S,4R,5S,6S,3'S,4'R,5'S,6'S)-5,6,5',6'-Tetrahydro-beta,beta-carotene-3,4,3',4'-tetrol > C40H60O4 > 604.45 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > JRDOTPFGWVUYGC-GORTYUBDSA-N > InChI=1S/C40H60O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,31-38,41-44H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t31-,32-,33-,34-,35-,36-,37+,38+/m0/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]2[C@H](C)[C@@H](O)[C@@H](O)CC2(C)C)[C@H](C)[C@@H](O)[C@H]1O > - > - > - > - > - > - > 10984899 > - > - > - > - > - > 6487 > 11575944 $$$$