LMPR01070873 LIPID_MAPS_STRUCTURE_DATABASE 45 48 0 0 0 999 V2000 2.7379 -7.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7379 -8.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5888 -8.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4397 -8.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4397 -7.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5888 -6.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3082 -6.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1593 -7.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0101 -6.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8610 -7.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7119 -6.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5628 -7.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4138 -6.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2647 -7.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1156 -6.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9666 -7.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8174 -6.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6684 -7.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5193 -6.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3702 -7.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0975 -5.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0800 -5.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0101 -5.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7119 -5.6130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3162 -4.9192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4138 -5.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3702 -8.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2210 -6.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0720 -6.1043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9230 -5.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7572 -6.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6082 -5.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6084 -4.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7742 -4.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9232 -4.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2659 -6.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2485 -6.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4643 -4.1272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0558 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3259 -8.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3487 -4.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1924 -4.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3492 -5.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4397 -9.0695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5735 -7.5869 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 6 21 1 0 0 0 6 22 1 0 0 0 9 23 1 0 0 0 11 24 1 0 0 0 23 24 1 0 0 0 23 25 2 0 0 0 13 26 1 0 0 0 20 27 1 0 0 0 28 20 1 0 0 0 28 29 3 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 33 34 1 0 0 0 34 35 1 0 0 0 30 35 2 0 0 0 31 36 1 0 0 0 31 37 1 0 0 0 33 38 1 1 0 0 35 39 1 0 0 0 4 40 1 1 0 0 38 41 1 0 0 0 41 42 1 0 0 0 41 43 2 0 0 0 4 44 1 6 0 0 5 45 1 1 0 0 2 45 1 1 0 0 M END > LMPR01070873 > Cyclopyrrhoxanthin > (3S,5R,6R,3'R)-3,6-Epoxy-3'-ethanoyloxy-5-hydroxy-7',8'-didehydro-5,6-dihydro-12',13',20'-trinor-beta,beta-caroten-19,11-olide > C39H48O6 > 612.35 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > GRBTZPLUNSWVPO-YOZNXODWSA-N > InChI=1S/C39H48O6/c1-26(16-17-34-28(3)21-32(43-29(4)40)23-36(34,5)6)14-12-10-11-13-15-27(2)20-31-22-30(35(41)44-31)18-19-39-37(7,8)24-33(45-39)25-38(39,9)42/h10-15,18-20,22,32-33,42H,21,23-25H2,1-9H3/b12-10+,13-11+,19-18+,26-14+,27-15+,31-20-/t32-,33+,38-,39-/m1/s1 > > - > - > - > - > - > - > 11563469 > - > - > - > - > - > 141464 > 16218688 $$$$