LMST01120067 LIPID_MAPS_STRUCTURE_DATABASE 47 55 0 0 0 999 V2000 8.5412 8.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6673 8.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5412 6.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2894 6.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1635 7.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2894 9.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9977 8.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6673 7.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4154 7.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3902 6.6695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4154 8.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4154 9.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2894 8.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2894 8.1332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0377 8.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6178 8.0327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1635 10.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1635 11.4644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0377 9.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0377 10.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2267 11.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6873 12.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2590 11.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2532 12.5329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3019 12.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9641 13.8067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9977 10.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9726 10.5235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1635 8.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5909 9.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9455 7.8817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7932 6.9223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9190 7.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9190 8.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7932 8.9410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0449 6.9222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1707 7.4268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1707 8.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0449 8.9409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2984 6.9232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3440 7.9686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8312 6.4235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4172 10.4541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2359 9.5287 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5449 10.4798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5449 10.4798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8539 9.5287 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 11 1 0 0 0 0 2 8 1 0 0 0 0 8 3 1 0 0 0 0 3 9 1 0 0 0 0 13 11 1 0 0 0 0 11 9 1 0 0 0 0 9 4 1 0 0 0 0 4 5 1 0 0 0 0 5 29 1 0 0 0 0 29 15 1 0 0 0 0 13 29 1 0 0 0 0 6 13 1 0 0 0 0 17 6 1 0 0 0 0 17 19 1 0 0 0 0 27 19 1 0 0 0 0 19 15 1 0 0 0 0 15 7 1 0 0 0 0 27 30 1 0 0 0 0 7 30 1 0 0 0 0 9 10 1 6 0 0 0 11 12 1 1 0 0 0 13 14 1 6 0 0 0 15 16 1 1 0 0 0 17 18 2 0 0 0 0 19 20 1 1 0 0 0 27 23 1 0 0 0 0 21 24 1 0 0 0 0 21 23 1 0 0 0 0 24 25 1 0 0 0 0 25 22 1 0 0 0 0 22 23 2 0 0 0 0 25 26 2 0 0 0 0 27 28 1 6 0 0 0 29 31 1 1 0 0 0 5 31 1 1 0 0 8 32 1 1 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 33 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 34 1 0 0 0 2 35 1 6 0 0 37 40 1 6 0 0 34 41 1 1 0 0 33 42 1 1 0 0 6 43 1 6 0 0 39 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 2 0 0 0 39 47 1 1 0 0 M END > LMST01120067 > Labriformin > > C31H39NO10S > 617.23 > Sterol Lipids [ST] > Sterols [ST01] > Cardanolides and derivatives [ST0112] > - > > BGKAKFOJZRBENJ-ADQNCTGXSA-N > InChI=1S/C31H39NO10S/c1-14-11-29(32-6-7-43-29)31(37)25(39-14)40-18-9-16-10-20-30(42-20)23(26(16,2)12-19(18)41-31)22(34)24(35)27(3)17(4-5-28(27,30)36)15-8-21(33)38-13-15/h6,8,14,16-20,22-23,25,34,36-37H,4-5,7,9-13H2,1-3H3/t14-,16-,17-,18-,19-,20+,22+,23-,25+,26+,27+,28-,29+,30+,31-/m1/s1 > C1[C@@]2(C)[C@@]([H])(C[C@@H]3O[C@@]43[C@]2([H])[C@H](O)C(=O)[C@@]2(C)[C@]4(O)CC[C@]2([H])C2=CC(=O)OC2)C[C@H]2O[C@]3([H])O[C@H](C)C[C@@]4(N=CCS4)[C@]3(O)O[C@H]12 > - > - > - > - > - > - > 162901184 > - > - > - > - > - > 48545 > 39691066 $$$$