LMPR01040138 LIPID_MAPS_STRUCTURE_DATABASE 90 99 0 0 0 999 V2000 9.4267 9.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5930 9.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2425 9.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4267 8.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2425 8.9165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7501 9.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5691 10.8425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2456 10.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5885 7.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0659 10.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7457 8.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9072 9.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7409 10.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4075 11.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9767 10.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9072 7.9378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 9.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 8.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3739 6.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5885 8.9210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7409 7.4621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0920 6.7538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1566 7.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9059 6.0690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7493 11.6987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9156 2.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5750 3.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2188 4.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8782 5.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8893 5.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2454 4.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5901 3.5061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2035 3.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5485 6.1565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2175 14.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2496 13.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5463 14.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5783 14.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3101 13.3767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0136 12.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3067 15.1306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9855 12.9175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8107 15.5597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8748 15.0584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1107 16.0252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1108 18.0280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8427 19.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7125 16.5262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3978 19.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8439 16.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9767 16.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9780 17.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8440 18.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7110 17.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5770 18.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3112 4.6437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7793 2.7137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8459 2.2129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6712 4.8518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3517 2.6416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6419 5.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3445 4.3933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0766 3.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1099 3.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4073 3.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4406 3.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5220 5.8088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3421 13.1253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9867 12.2519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4858 14.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1248 14.3601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9146 15.6795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3790 13.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6663 12.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6993 12.9546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4490 13.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1616 14.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9112 15.5906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9176 11.7188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9417 -0.5523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0595 -1.2197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6555 1.3936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5338 -0.9228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6002 1.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3622 1.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1796 0.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2386 -0.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4766 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5355 0.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3045 1.4175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 1 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 8 3 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 6 0 0 0 7 14 1 0 0 0 0 10 15 2 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 6 0 0 0 16 19 1 1 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 17 18 1 0 0 0 0 2 20 1 1 0 0 0 11 21 1 1 0 0 0 23 22 2 0 0 0 0 23 24 1 0 0 0 0 8 25 1 6 0 0 28 33 1 1 0 0 30 34 1 6 0 0 27 26 1 6 0 0 28 27 1 0 0 0 29 28 1 0 0 0 30 29 1 0 0 0 31 30 1 0 0 0 32 31 1 0 0 0 27 32 1 0 0 0 37 43 1 6 0 0 38 44 1 1 0 0 40 25 1 1 0 0 36 35 1 1 0 0 37 36 1 0 0 0 38 37 1 0 0 0 39 38 1 0 0 0 40 39 1 0 0 0 42 40 1 0 0 0 36 42 1 0 0 0 41 35 1 0 0 0 49 55 1 0 0 0 54 48 1 0 0 0 48 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 1 0 0 51 45 1 6 0 0 52 46 1 1 0 0 53 47 1 6 0 0 50 44 1 1 0 0 60 66 1 0 0 0 65 59 1 0 0 0 59 61 1 0 0 0 61 62 1 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 65 66 1 1 0 0 61 24 1 1 0 0 62 56 1 6 0 0 63 57 1 1 0 0 64 58 1 6 0 0 29 67 1 6 0 0 39 68 1 6 0 0 72 78 1 0 0 0 77 71 1 0 0 0 71 73 1 0 0 0 73 74 1 0 0 0 74 75 1 0 0 0 75 76 1 0 0 0 76 77 1 0 0 0 77 78 1 1 0 0 73 68 1 1 0 0 75 69 1 1 0 0 76 70 1 6 0 0 74 79 1 6 0 0 31 56 1 1 0 0 83 89 1 0 0 0 88 82 1 0 0 0 82 84 1 0 0 0 84 85 1 0 0 0 85 86 1 0 0 0 86 87 1 0 0 0 87 88 1 0 0 0 88 89 1 1 0 0 84 57 1 1 0 0 86 80 1 1 0 0 87 81 1 6 0 0 85 90 1 6 0 0 M END > LMPR01040138 > Rebaudioside N > > C56H90O32 > 1274.54 > Prenol Lipids [PR] > Isoprenoids [PR01] > C20 isoprenoids (diterpenes) [PR0104] > - > > AKEKAGBWNXIWSS-ZFXKUSSPSA-N > InChI=1S/C56H90O32/c1-19-12-55-10-6-26-53(3,8-5-9-54(26,4)52(76)87-50-44(85-46-38(72)34(68)28(62)20(2)77-46)42(32(66)24(16-60)81-50)83-47-39(73)35(69)29(63)21(13-57)78-47)27(55)7-11-56(19,18-55)88-51-45(86-49-41(75)37(71)31(65)23(15-59)80-49)43(33(67)25(17-61)82-51)84-48-40(74)36(70)30(64)22(14-58)79-48/h20-51,57-75H,1,5-18H2,2-4H3/t20-,21+,22+,23+,24+,25+,26-,27-,28-,29+,30+,31+,32+,33+,34+,35-,36-,37-,38+,39+,40+,41+,42-,43-,44+,45+,46-,47-,48-,49-,50-,51-,53+,54+,55+,56-/m0/s1 > [C@@]123CC([C@](O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)O)CO)(CC[C@@]1([H])[C@]1(C)CCC[C@@](C)(C(O[C@H]4[C@H](O[C@@H]5O[C@H]([C@@H]([C@@H](O)[C@H]5O)O)C)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)[C@H](O)[C@@H](CO)O4)=O)[C@@]1([H])CC2)C3)=C > - > - > - > - > - > - > 92023638 > - > - > - > - > - > 55670 > 23713723 $$$$