LMPR01040125 LIPID_MAPS_STRUCTURE_DATABASE 58 64 0 0 0 999 V2000 9.4200 9.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5869 9.8703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2352 9.8703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4200 8.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2352 8.9102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7447 9.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5630 10.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2383 10.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5824 7.9277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0581 10.3504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7403 8.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9024 9.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7355 10.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4008 11.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9683 10.5948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9024 7.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0647 9.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0647 8.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3694 6.7611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5824 8.9147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7355 7.4568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0863 6.7490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1515 6.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9011 6.0647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7416 11.6904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3355 13.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8677 15.0477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8022 15.5488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9770 12.9085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2973 15.1199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0058 12.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3028 13.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5708 14.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5380 14.5852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2410 13.8722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2083 14.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8366 11.8276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9549 12.5126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6104 14.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2556 14.4434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1576 15.9361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4313 13.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6645 12.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7217 13.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5496 14.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3164 14.7836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1442 15.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3900 16.3072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7377 18.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6151 18.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0376 16.3489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1428 18.6731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0953 16.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3287 16.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5043 17.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4430 17.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2095 17.3324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1482 17.6727 0.0000 C 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 30 36 1 0 0 0 35 29 1 0 0 0 29 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 1 0 0 31 25 1 1 0 0 32 26 1 6 0 0 33 27 1 1 0 0 34 28 1 6 0 0 41 47 1 0 0 0 46 40 1 0 0 0 40 42 1 0 0 0 42 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 1 0 0 43 37 1 6 0 0 44 38 1 1 0 0 45 39 1 6 0 0 42 26 1 1 0 0 52 58 1 0 0 0 57 51 1 0 0 0 51 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 57 58 1 1 0 0 54 48 1 6 0 0 55 49 1 1 0 0 56 50 1 6 0 0 53 27 1 1 0 0 M END > LMPR01040125 > Rebaudioside B > > C38H60O18 > 804.38 > Prenol Lipids [PR] > Isoprenoids [PR01] > C20 isoprenoids (diterpenes) [PR0104] > - > > DRSKVOAJKLUMCL-MMUIXFKXSA-N > InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(49)50)21(37)6-10-38(16,15-37)56-33-30(55-32-28(48)26(46)23(43)18(13-40)52-32)29(24(44)19(14-41)53-33)54-31-27(47)25(45)22(42)17(12-39)51-31/h17-33,39-48H,1,4-15H2,2-3H3,(H,49,50)/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27-,28-,29+,30-,31+,32+,33+,35-,36-,37-,38+/m1/s1 > [C@@]123CC([C@](O[C@H]4[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)[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)(CC[C@@]1([H])[C@]1(C)CCC[C@@](C)(C(O)=O)[C@@]1([H])CC2)C3)=C > - > - > - > - > - > - > 21593623 > - > - > - > - > - > 55670 > 23713723 $$$$