LMST01080069 LIPID_MAPS_STRUCTURE_DATABASE 88 98 0 0 0 999 V2000 18.1039 10.6011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8129 12.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8066 14.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8217 13.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8320 12.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8017 13.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7977 12.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7664 12.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7703 13.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7880 14.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8129 12.9821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8017 14.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7977 11.9561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8536 12.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8536 11.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8129 11.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8814 12.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9094 12.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9094 11.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8814 10.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8536 13.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8320 12.0447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.7880 15.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6742 14.4636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6823 15.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8723 15.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0688 16.1576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8569 15.3295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9250 16.1115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9154 15.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6552 16.7794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8928 10.2056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.8406 15.7855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1218 14.8819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8320 10.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8320 9.4516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0664 8.9203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0645 8.9203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0682 10.6511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5655 11.5204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0686 10.6523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5682 9.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5648 9.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0667 10.6523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5671 11.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0689 12.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2484 9.8182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8075 12.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3467 12.2275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7214 14.2231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2536 11.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3438 10.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5267 11.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6222 12.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5320 12.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6274 13.7988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6169 10.9780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5819 7.8447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1687 7.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 9.5291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1907 8.4757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4798 9.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6466 8.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8726 7.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9372 7.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7705 8.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8351 9.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4896 13.2915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0395 6.5690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5438 4.6324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1184 3.2269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1937 3.7598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3616 6.1321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3294 5.8672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5816 4.8987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8660 4.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9039 4.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6517 5.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8828 10.0115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1564 11.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1730 13.0216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7669 12.5074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7612 11.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8911 11.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0265 11.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0349 12.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9050 13.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6874 5.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 2 7 1 0 0 0 6 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 6 7 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 6 1 0 0 0 7 8 1 0 0 0 2 11 1 1 0 0 6 12 1 1 0 0 7 13 1 6 0 0 5 14 1 0 0 0 14 15 1 0 0 0 15 35 1 0 0 0 35 16 1 0 0 0 16 2 1 0 0 0 14 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 15 1 0 0 0 14 21 1 1 0 0 5 22 1 6 0 0 10 23 1 1 0 0 9 24 1 1 0 0 25 24 1 0 0 0 25 33 1 0 0 0 33 26 1 0 0 0 27 26 1 0 0 0 27 28 1 6 0 0 27 29 1 0 0 0 23 30 1 6 0 0 29 31 1 0 0 0 25 31 1 6 0 0 19 1 1 1 0 0 15 32 1 6 0 0 33 34 1 6 0 0 35 36 1 6 0 0 25 23 1 0 0 0 45 40 1 0 0 0 40 41 1 0 0 0 41 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 1 0 0 42 37 1 6 0 0 43 38 1 1 0 0 44 39 1 1 0 0 50 56 1 0 0 0 55 49 1 0 0 0 49 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 1 0 0 51 39 1 1 0 0 52 47 1 6 0 0 54 48 1 6 0 0 53 57 1 1 0 0 61 67 1 0 0 0 66 60 1 0 0 0 60 62 1 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 65 66 1 0 0 0 66 67 1 1 0 0 62 47 1 1 0 0 63 58 1 6 0 0 65 59 1 6 0 0 46 68 1 0 0 0 64 69 1 1 0 0 78 73 1 0 0 0 73 74 1 0 0 0 74 75 1 0 0 0 75 76 1 0 0 0 76 77 1 0 0 0 77 78 1 0 0 0 74 69 1 1 0 0 75 70 1 6 0 0 76 71 1 6 0 0 77 72 1 1 0 0 87 82 1 0 0 0 82 83 1 0 0 0 83 84 1 0 0 0 84 85 1 0 0 0 85 86 1 0 0 0 86 87 1 0 0 0 84 79 1 6 0 0 85 80 1 1 0 0 86 81 1 6 0 0 83 57 1 1 0 0 78 88 1 6 0 0 41 1 1 1 0 0 M END > LMST01080069 > > 3-O-(Rhaa1-3Glcb1-2(Xylb1-3)Glcb1-4Galb)-(25R)-5alpha-spirostan-3beta,6alpha,23S-triol > C56H92O28 > 1212.58 > Sterol Lipids [ST] > Sterols [ST01] > Spirostanols and derivatives [ST0108] > - > (25R)-5alpha-spirostan-3beta,6alpha,23S-triol 3-O-alpha-L-rhamnopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-2)-[beta-D-xylopyranosyl-(1-3)]-beta-D-glucopyranosyl-(1-4)-beta-D-galactopyranoside > BYBHDVRWAIHRJO-RLBRCPCPSA-N > InChI=1S/C56H92O28/c1-19-10-33(62)56(74-17-19)20(2)34-29(84-56)13-25-23-12-27(60)26-11-22(6-8-54(26,4)24(23)7-9-55(25,34)5)76-51-43(71)40(68)45(32(16-59)79-51)80-53-48(47(38(66)31(15-58)78-53)82-49-41(69)36(64)28(61)18-73-49)83-52-44(72)46(37(65)30(14-57)77-52)81-50-42(70)39(67)35(63)21(3)75-50/h19-53,57-72H,6-18H2,1-5H3/t19-,20+,21+,22+,23-,24+,25+,26-,27+,28-,29+,30-,31-,32-,33-,34+,35+,36+,37-,38-,39-,40-,41-,42-,43-,44-,45+,46+,47+,48-,49+,50+,51-,52+,53+,54-,55+,56+/m1/s1 > O([C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)[C@H](O)[C@@H](CO)O3)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)CO3)[C@H](O)[C@@H](CO)O2)[C@@H](CO)O1)[C@@H]1C[C@]2([H])[C@@H](O)C[C@@]3([H])[C@]4([H])C[C@@H]5O[C@]6([C@@H](C)[C@@H]5[C@@]4(C)CC[C@]3([H])[C@@]2(C)CC1)OC[C@H](C)C[C@H]6O > - > - > - > - > - > - > 52931461 > - > - > - > - > - > - > - $$$$