LMSP05010173 LIPID_MAPS_STRUCTURE_DATABASE 62 62 0 0 0 999 V2000 24.1290 8.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9233 8.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3291 8.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5285 8.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7280 8.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9276 8.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1271 8.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3266 8.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5263 8.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7258 8.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9252 8.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1248 8.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3243 8.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5237 8.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7233 8.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9230 8.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1223 8.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3218 8.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0985 7.2373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.5285 9.8301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.1305 7.8461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.7074 5.6301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0787 4.0286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3965 6.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3535 3.5987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2125 7.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3160 7.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6037 5.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7895 5.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6860 5.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8714 4.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4610 8.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2052 6.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2052 5.7506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3334 7.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4614 6.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5893 7.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7172 6.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8452 7.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9731 6.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1010 7.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2289 6.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3569 7.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4848 6.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6127 7.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7406 6.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8686 7.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9965 6.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1244 7.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2524 6.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3803 7.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5082 6.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6361 7.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7641 6.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8920 6.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0199 7.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1478 6.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2758 7.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4037 6.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4684 7.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3405 6.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3848 7.9342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 1 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 8 1 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 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 3 19 1 6 0 0 4 20 1 1 0 0 25 31 1 0 0 0 30 24 1 0 0 0 24 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 1 0 0 26 2 1 1 0 0 27 21 1 6 0 0 28 22 1 1 0 0 29 23 1 6 0 0 18 32 1 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 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 1 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 2 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 35 62 1 1 0 0 19 33 1 0 0 0 0 M END > LMSP05010173 > Renieroside A1 > N-(2R-hydroxy-21Z-octacosenoyl)-1-beta-D-glucosyl-sphing-4E,8E,10E-trienine > C52H95NO9 > 877.70 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Simple Glc series [SP0501] > - > > POKVGEROOIJJMK-YOCKLAHRSA-N > InChI=1S/C52H95NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-46(56)51(60)53-44(43-61-52-50(59)49(58)48(57)47(42-54)62-52)45(55)40-38-36-34-32-30-28-16-14-12-10-8-6-4-2/h13,15-16,28,30,32,38,40,44-50,52,54-59H,3-12,14,17-27,29,31,33-37,39,41-43H2,1-2H3,(H,53,60)/b15-13-,28-16+,32-30+,40-38+/t44-,45+,46+,47+,48+,49-,50+,52+/m0/s1 > C([C@H](NC([C@H](O)CCCCCCCCCCCCCCCCCC/C=C\CCCCCC)=O)[C@H](O)/C=C/CC/C=C/C=C/CCCCCCC)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1 > - > - > - > HexCer 46:4;O3 > - > - > 23643433 > - > - > - > - > - > 2600287 > 17848089 $$$$