LMST01120032 LIPID_MAPS_STRUCTURE_DATABASE 45 51 0 0 0 999 V2000 14.6784 -9.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5565 -10.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5565 -11.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6784 -11.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8002 -11.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8002 -10.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4348 -9.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3130 -10.3178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3130 -11.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4348 -11.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4347 -8.7968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3129 -8.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1911 -8.7968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1911 -9.7855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0692 -8.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9475 -8.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9476 -9.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0692 -7.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1911 -10.7996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5326 -9.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1788 -7.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5442 -12.0379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4362 -10.5561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2491 -6.6795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5623 -5.7150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5762 -5.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8896 -6.6795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1723 -4.8947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3130 -9.3208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9219 -11.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0436 -11.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0436 -10.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9219 -9.8108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1653 -11.8391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2870 -11.3321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2870 -10.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1653 -9.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6495 -8.8243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8254 -12.0913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4103 -11.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1906 -8.7984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8377 -9.5624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0436 -9.3054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0436 -12.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3257 -7.3435 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 1 0 0 0 5 39 1 6 0 0 35 40 1 6 0 0 37 41 1 1 0 0 6 42 1 1 0 0 32 43 1 1 0 0 31 44 1 1 0 0 12 45 1 1 0 0 M END > LMST01120032 > 6'-dehydroxyghalakinoside > > C29H42O10 > 550.28 > Sterol Lipids [ST] > Sterols [ST01] > Cardanolides and derivatives [ST0112] > - > > RGJSIZOZMBPAIL-YUVWTAJSSA-N > InChI=1S/C29H42O10/c1-14-7-23(32)29(35)25(37-14)38-20-9-16-3-4-18-19(27(16,13-30)11-21(20)39-29)10-22(31)26(2)17(5-6-28(18,26)34)15-8-24(33)36-12-15/h8,14,16-23,25,30-32,34-35H,3-7,9-13H2,1-2H3/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(CC[C@H](C5=CC(=O)OC5)[C@@]4(C)[C@H](O)C[C@]3([H])[C@@]12CO)O > - > - > - > - > - > - > 16086566 > - > - > - > - > - > 264979 > 16989527 $$$$