LMPR01040131 LIPID_MAPS_STRUCTURE_DATABASE 57 63 0 0 0 999 V2000 9.4224 9.3882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5891 9.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2378 9.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4224 8.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2378 8.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7466 9.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5652 10.8376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2409 10.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5846 7.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0609 10.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7422 8.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9041 9.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7374 10.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4032 11.3176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9713 10.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9041 7.9342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0662 9.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0662 8.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3710 6.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5846 8.9169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7374 7.4587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 6.7507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1533 7.0011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9028 6.0662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7443 11.6933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2364 4.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8231 3.5157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1934 5.7773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8452 4.7238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1342 5.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3010 4.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5270 3.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 4.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4249 5.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4895 5.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6939 2.8171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1460 15.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3182 14.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5512 14.1436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7234 13.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6664 12.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4334 13.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2577 14.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6118 14.4841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9564 12.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8386 11.8306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2115 14.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2440 13.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5409 14.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5735 14.3383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3054 13.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0086 12.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3005 15.1236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9800 12.9116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8052 15.5526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8702 15.0514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3378 13.1199 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 29 35 1 0 0 0 34 28 1 0 0 0 28 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 1 0 0 30 24 1 1 0 0 31 26 1 6 0 0 33 27 1 6 0 0 32 36 1 1 0 0 42 57 1 1 0 0 39 44 1 1 0 0 40 45 1 6 0 0 41 46 1 6 0 0 38 37 1 6 0 0 39 38 1 0 0 0 40 39 1 0 0 0 41 40 1 0 0 0 42 41 1 0 0 0 43 42 1 0 0 0 38 43 1 0 0 0 49 55 1 6 0 0 50 56 1 1 0 0 51 57 1 6 0 0 52 25 1 1 0 0 48 47 1 1 0 0 49 48 1 0 0 0 50 49 1 0 0 0 51 50 1 0 0 0 52 51 1 0 0 0 54 52 1 0 0 0 48 54 1 0 0 0 53 47 1 0 0 0 M END > LMPR01040131 > Dulcoside A > > C38H60O17 > 788.38 > Prenol Lipids [PR] > Isoprenoids [PR01] > C20 isoprenoids (diterpenes) [PR0104] > - > > CANAPGLEBDTCAF-NTIPNFSCSA-N > InChI=1S/C38H60O17/c1-16-12-37-10-6-20-35(3,8-5-9-36(20,4)34(49)54-32-29(48)26(45)23(42)18(13-39)51-32)21(37)7-11-38(16,15-37)55-33-30(27(46)24(43)19(14-40)52-33)53-31-28(47)25(44)22(41)17(2)50-31/h17-33,39-48H,1,5-15H2,2-4H3/t17-,18+,19+,20-,21-,22-,23+,24+,25+,26-,27-,28+,29+,30+,31-,32-,33-,35+,36+,37+,38-/m0/s1 > [C@@]123CC([C@](O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O[C@@H]4O[C@H]([C@@H]([C@H]([C@H]4O)O)O)C)O)O)CO)(CC[C@@]1([H])[C@]1(C)CCC[C@@](C)(C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=O)[C@@]1([H])CC2)C3)=C > - > - > 186967 > - > - > - > 72941582 > - > - > - > - > - > 55670 > 23713723 $$$$