LMSP05010107 LIPID_MAPS_STRUCTURE_DATABASE 55 55 0 0 0 999 V2000 20.6702 8.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4647 8.3777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8699 8.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0693 8.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2686 8.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4679 8.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6673 8.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8666 8.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0661 8.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2654 8.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4646 8.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6639 8.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8633 8.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0625 8.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2619 8.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4613 8.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6606 8.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8598 8.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6393 7.1603 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0693 9.7537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9520 6.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9520 6.0040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0700 7.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1879 6.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3059 7.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4237 6.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5417 7.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6595 6.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7774 7.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8952 6.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0132 7.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1312 6.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2490 7.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3669 6.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4848 7.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6026 6.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0700 7.9201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6723 7.7693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2493 5.5527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6203 3.9507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9378 6.4653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8947 3.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7540 7.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8578 6.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1455 5.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3311 5.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2273 5.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4126 4.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7399 7.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8771 6.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2654 9.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0144 7.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1517 6.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2890 7.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4262 6.7637 0.0000 C 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 1 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 19 21 1 0 0 0 21 22 2 0 0 0 21 23 1 0 0 0 23 24 1 0 0 0 24 25 2 0 0 0 25 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 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 35 36 1 0 0 0 23 37 1 1 0 0 42 48 1 0 0 0 47 41 1 0 0 0 41 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 1 0 0 43 2 1 1 0 0 44 38 1 6 0 0 45 39 1 1 0 0 46 40 1 6 0 0 36 49 1 0 0 0 49 50 1 0 0 0 10 51 1 0 0 0 50 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 M END > LMSP05010107 > > N-(2R-hydroxy-3E-heneicosenoyl)-1-beta-glucosyl-9-methyl-heptadecasphing-4E,8E-dienine > C45H83NO9 > 781.61 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Simple Glc series [SP0501] > - > > SFBHTFQPVMTZEM-QLHUYITDSA-N > InChI=1S/C45H83NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-24-28-33-39(49)44(53)46-37(35-54-45-43(52)42(51)41(50)40(34-47)55-45)38(48)32-29-25-27-31-36(3)30-26-23-11-9-7-5-2/h28-29,31-33,37-43,45,47-52H,4-27,30,34-35H2,1-3H3,(H,46,53)/b32-29+,33-28+,36-31+/t37-,38+,39+,40+,41+,42-,43+,45+/m0/s1 > C([C@H](NC([C@H](O)/C=C/CCCCCCCCCCCCCCCCC)=O)[C@H](O)/C=C/CC/C=C(\C)/CCCCCCCC)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1 > - > - > - > HexCer 39:3;O3 > - > - > 139584859 > - > - > - > - > - > 55307 > - $$$$