LMST01120048 LIPID_MAPS_STRUCTURE_DATABASE 45 51 0 0 0 999 V2000 11.4044 -7.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2825 -7.9435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2825 -8.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4044 -9.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5259 -8.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5259 -7.9435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1609 -7.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0391 -7.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0391 -8.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1609 -9.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1608 -6.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0390 -5.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9172 -6.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9172 -7.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7954 -5.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6738 -6.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6739 -7.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7954 -4.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9172 -8.4252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2586 -6.9450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9049 -5.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2702 -9.6635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1623 -8.1817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9753 -4.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2884 -3.3404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3024 -3.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6158 -4.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8985 -2.5200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0391 -6.9464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6476 -9.4646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7693 -8.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7693 -7.9435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6476 -7.4364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8909 -9.4647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0126 -8.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0126 -7.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8909 -7.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3755 -6.4498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5511 -9.7170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1359 -9.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9162 -6.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5634 -7.1879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7693 -6.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7693 -9.6664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3759 -8.1483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 1 1 0 0 0 2 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 3 1 0 0 0 7 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 8 1 0 0 0 13 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 15 18 1 1 0 0 14 19 1 1 0 0 2 20 1 1 0 0 13 21 1 1 0 0 3 22 1 6 0 0 7 23 1 6 0 0 18 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 18 2 0 0 0 26 28 2 0 0 0 14 17 1 0 0 0 8 29 1 1 0 0 5 30 1 1 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 6 1 0 0 0 31 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 32 1 0 0 0 20 38 2 0 0 0 5 39 1 6 0 0 35 40 1 6 0 0 37 41 1 6 0 0 6 42 1 1 0 0 32 43 1 1 0 0 31 44 1 1 0 0 17 45 1 1 0 0 M END > LMST01120048 > 15beta-hydroxycalotropin > > C29H40O10 > 548.26 > Sterol Lipids [ST] > Sterols [ST01] > Cardanolides and derivatives [ST0112] > - > > ZABRUXSLNOYHLJ-QQIHNUQVSA-N > InChI=1S/C29H40O10/c1-14-7-23(32)29(35)25(37-14)38-20-9-16-3-4-18-17(27(16,13-30)11-21(20)39-29)5-6-26(2)19(10-22(31)28(18,26)34)15-8-24(33)36-12-15/h8,13-14,16-23,25,31-32,34-35H,3-7,9-12H2,1-2H3/t14-,16+,17+,18-,19-,20-,21-,22-,23+,25+,26-,27-,28-,29+/m1/s1 > C1[C@@]2([H])O[C@@]3(O)[C@@H](O)C[C@@H](C)O[C@@]3([H])O[C@]2([H])C[C@]2([H])CC[C@@]3([H])[C@]4([C@H](O)C[C@H](C5=CC(=O)OC5)[C@@]4(C)CC[C@]3([H])[C@@]12C=O)O > - > - > - > - > - > - > 15118545 > - > - > - > - > - > 264979 > 16989527 $$$$