LMST01120028 LIPID_MAPS_STRUCTURE_DATABASE 45 50 0 0 0 999 V2000 14.7219 -9.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6026 -10.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6026 -11.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7219 -11.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8411 -11.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8411 -10.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4835 -9.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3643 -10.3484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3643 -11.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4835 -11.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4834 -8.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3642 -8.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2451 -8.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2451 -9.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1258 -8.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0067 -8.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0068 -9.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1258 -7.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9603 -11.8742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2451 -10.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5787 -9.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2327 -7.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5903 -12.0736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4849 -10.5874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3031 -6.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6173 -5.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6343 -5.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9486 -6.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2321 -4.9092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8727 -8.3227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7387 -8.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6047 -8.3227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7388 -9.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2625 -13.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2888 -14.0835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0179 -12.5431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3354 -11.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9759 -12.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6271 -12.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6375 -13.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0022 -12.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3511 -11.4376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7157 -10.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3028 -14.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3643 -9.3484 0.0000 H 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 5 19 1 1 0 0 14 20 1 1 0 0 2 21 1 1 0 0 13 22 1 1 0 0 3 23 1 1 0 0 7 24 1 6 0 0 18 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 18 2 0 0 0 27 29 2 0 0 0 16 30 1 1 0 0 14 17 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 31 33 2 0 0 0 42 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 1 0 0 38 19 1 1 0 0 39 34 1 6 0 0 40 35 1 1 0 0 41 36 1 1 0 0 35 44 1 0 0 0 8 45 1 1 0 0 M END > LMST01120028 > Neritaloside > 3beta-O-(d-digitalosyl)-14beta-hydroxy-16beta-acetoxy-5beta-card-20(22)-enolide > C32H48O10 > 592.32 > Sterol Lipids [ST] > Sterols [ST01] > Cardanolides and derivatives [ST0112] > - > 16-Acetylstrospeside > UZQOZJNEDXAJEZ-VZJXLKLWSA-N > InChI=1S/C32H48O10/c1-16-26(35)28(38-5)27(36)29(40-16)42-20-8-10-30(3)19(13-20)6-7-22-21(30)9-11-31(4)25(18-12-24(34)39-15-18)23(41-17(2)33)14-32(22,31)37/h12,16,19-23,25-29,35-37H,6-11,13-15H2,1-5H3/t16-,19-,20+,21+,22-,23+,25+,26+,27-,28+,29+,30+,31-,32+/m1/s1 > C1C[C@H](O[C@H]2[C@H](O)[C@@H](OC)[C@@H](O)[C@@H](C)O2)C[C@@]2([H])CC[C@@]3([H])[C@]4(C[C@H](OC(=O)C)[C@H](C5=CC(=O)OC5)[C@@]4(C)CC[C@]3([H])[C@@]12C)O > - > - > - > - > - > - > 44566654 > - > - > - > - > - > 63479 > 9214727 $$$$