LMST01120010 LIPID_MAPS_STRUCTURE_DATABASE 42 47 0 0 0 0 0 0 0 0999 V2000 11.2761 7.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9912 8.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8456 9.3767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1305 8.9638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8456 7.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9912 10.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4919 9.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9773 9.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7056 11.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4911 11.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4911 12.3366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2202 11.9237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1305 8.1380 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5608 8.1380 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5608 7.3121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5608 8.9638 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5608 9.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2761 10.2026 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5608 10.6155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9912 8.9638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9912 9.7897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7064 9.3767 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7064 8.5509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7064 10.2026 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7064 11.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4919 10.4579 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2896 10.6716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2761 9.3767 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2761 8.5509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7056 12.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4305 13.3281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4152 7.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 7.3121 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9849 7.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 6.4863 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4152 6.0733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9849 6.0733 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9849 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2696 6.4863 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2696 7.3121 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5544 7.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 6.0733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28 16 1 0 0 0 0 14 1 1 0 0 0 0 1 2 1 0 0 0 0 2 20 1 0 0 0 0 5 14 1 0 0 0 0 14 16 1 0 0 0 0 3 16 1 0 0 0 0 3 4 1 0 0 0 0 4 13 1 0 0 0 0 13 5 1 0 0 0 0 20 22 1 0 0 0 0 28 20 1 0 0 0 0 18 28 1 0 0 0 0 6 18 1 0 0 0 0 6 24 1 0 0 0 0 26 24 1 0 0 0 0 24 22 1 0 0 0 0 22 7 1 0 0 0 0 26 8 1 0 0 0 0 7 8 1 0 0 0 0 26 9 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 11 1 0 0 0 0 11 30 1 0 0 0 0 30 12 1 0 0 0 0 13 32 1 1 0 0 0 14 15 1 1 0 0 0 16 17 1 1 0 0 0 18 19 1 6 0 0 0 20 21 1 1 0 0 0 22 23 1 1 0 0 0 24 25 1 1 0 0 0 26 27 1 6 0 0 0 28 29 1 6 0 0 0 30 31 2 0 0 0 0 33 32 1 1 0 0 0 35 33 1 0 0 0 0 34 33 1 0 0 0 0 34 40 1 0 0 0 0 40 39 1 0 0 0 0 39 37 1 0 0 0 0 37 35 1 0 0 0 0 35 36 1 6 0 0 0 37 38 1 6 0 0 0 39 42 1 1 0 0 0 40 41 1 6 0 0 0 M END > LMST01120010 > rhodexin A > > C29H44O9 > 536.30 > Sterol Lipids [ST] > Sterols [ST01] > Cardanolides and derivatives [ST0112] > - > Rhodexin A; Sarmentogenin 3-O-alpha-L-rhamnoside; Sarmentogenin, 3-(6-deoxy-alpha-L-mannopyranoside) > HFMLTKBZNAPPNY-CEKKCSHUSA-N > InChI=1S/C29H44O9/c1-14-23(32)24(33)25(34)26(37-14)38-17-6-8-27(2)16(11-17)4-5-19-22(27)20(30)12-28(3)18(7-9-29(19,28)35)15-10-21(31)36-13-15/h10,14,16-20,22-26,30,32-35H,4-9,11-13H2,1-3H3/t14-,16+,17-,18+,19+,20+,22+,23-,24+,25+,26-,27-,28+,29-/m0/s1 > C1C[C@]2([H])[C@]([H])([C@H](O)C[C@@]3(C)[C@]2(O)CC[C@]3([H])C2=CC(=O)OC2)[C@@]2(C)CC[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C[C@@]12[H] > C08877 > - > - > - > - > - > 441868 > - > - > - > - > - > - > - $$$$