LMSP05010178 LIPID_MAPS_STRUCTURE_DATABASE 62 62 0 0 0 999 V2000 24.0278 8.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8188 8.4189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2313 8.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4341 8.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6369 8.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8399 8.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0427 8.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2456 8.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4486 8.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6515 8.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8542 8.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0572 8.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2600 8.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4628 8.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6657 8.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8689 8.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0715 8.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2744 8.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0017 7.2070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.4341 9.7889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0168 7.8132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5913 5.6065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9694 4.0117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2942 6.5149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2514 3.5836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1068 7.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2057 7.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4922 5.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6814 5.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5825 5.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7713 4.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4172 8.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1121 6.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1121 5.7265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2440 7.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3756 6.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5072 7.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6387 6.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7704 7.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9019 6.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0335 7.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1650 6.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2967 7.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4283 6.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5599 7.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6914 6.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8231 7.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9546 6.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0862 7.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2178 6.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6191 7.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7507 7.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8823 6.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0138 7.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1455 6.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 7.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4086 6.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4599 7.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2951 7.9010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6515 9.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4875 6.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3494 7.2190 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 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 51 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 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 35 59 1 1 0 0 19 33 1 0 0 0 0 10 60 1 0 0 0 61 51 1 0 0 0 0 50 62 1 0 0 0 0 62 61 1 0 0 0 0 M END > LMSP05010178 > Renieroside B3 > N-(2R-hydroxy-20Z-heptacosenoyl)-1-beta-D-glucosyl-9-methyl-sphing-4E,8E,10E-trienine > C52H95NO9 > 877.70 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Simple Glc series [SP0501] > - > > XBGQJELPFUYHAI-IVFQGWKFSA-N > InChI=1S/C52H95NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-31-35-40-46(56)51(60)53-44(42-61-52-50(59)49(58)48(57)47(41-54)62-52)45(55)39-36-32-34-38-43(3)37-33-30-28-11-9-7-5-2/h13-14,33,36-39,44-50,52,54-59H,4-12,15-32,34-35,40-42H2,1-3H3,(H,53,60)/b14-13-,37-33+,39-36+,43-38+/t44-,45+,46+,47+,48+,49-,50+,52+/m0/s1 > C([C@H](NC([C@H](O)CCCCCCCCCCCCCCCCC/C=C\CCCCCC)=O)[C@H](O)/C=C/CC/C=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 > - > - > 23643542 > - > - > - > - > - > 2600287 > 17848089 $$$$