LMPR0102070030 LIPID_MAPS_STRUCTURE_DATABASE 44 46 0 0 0 0 0 0 0 0999 V2000 6.8373 11.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2486 12.1704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 11.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2518 10.7634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7252 9.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4523 8.5844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7252 9.8401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 8.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0271 9.0811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3041 8.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5933 8.9808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2994 7.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 8.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5841 7.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0287 7.3156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8748 7.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1655 8.9844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5825 6.4962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1563 7.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7560 6.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7572 6.0676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4746 7.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5849 5.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8684 5.2514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2991 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4322 6.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7161 7.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4263 6.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0200 9.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3190 10.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3190 11.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5425 10.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0200 11.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5460 11.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7273 10.3918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0763 10.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7273 11.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0166 12.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7170 12.8128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3121 12.8094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4136 12.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3190 9.5835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3190 12.0121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 9.4287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 2 2 0 0 0 0 12 15 1 6 0 0 0 23 25 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 1 0 0 0 26 19 1 0 0 0 0 26 27 2 0 0 0 0 14 18 1 1 0 0 0 26 28 1 0 0 0 0 16 19 1 6 0 0 0 29 9 1 1 0 0 0 14 16 1 0 0 0 0 17 6 1 0 0 0 0 10 9 1 1 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 5 8 1 0 0 0 0 5 6 1 0 0 0 0 20 15 1 0 0 0 0 20 21 2 0 0 0 0 5 7 2 0 0 0 0 20 22 1 0 0 0 0 12 14 1 0 0 0 0 30 31 1 0 0 0 0 30 29 1 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 29 35 1 0 0 0 0 32 36 1 0 0 0 0 33 37 2 0 0 0 0 33 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 2 0 0 0 0 39 41 1 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 30 42 1 1 0 0 0 31 43 1 1 0 0 0 23 18 1 0 0 0 0 36 4 1 1 0 0 0 23 24 2 0 0 0 0 32 44 1 1 0 0 0 M END > LMPR0102070030 > Loganin pentaacetate > > C27H36O15 > 600.21 > Prenol Lipids [PR] > Isoprenoids [PR01] > C10 isoprenoids (monoterpenes) [PR0102] > Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids [PR010207] > > AEJMLRVPTZEQEF-HISSRJBZSA-N > InChI=1S/C27H36O15/c1-11-19(37-13(3)29)8-17-18(25(33)34-7)9-36-26(21(11)17)42-27-24(40-16(6)32)23(39-15(5)31)22(38-14(4)30)20(41-27)10-35-12(2)28/h9,11,17,19-24,26-27H,8,10H2,1-7H3/t11-,17+,19-,20+,21+,22+,23-,24+,26-,27-/m0/s1 > C(=O)(O[C@H]1C[C@]2([H])C(C(=O)OC)=CO[C@H]([C@]2([H])[C@H]1C)O[C@H]1[C@@H]([C@H]([C@H](OC(C)=O)[C@H](O1)COC(=O)C)OC(=O)C)OC(C)=O)C > C11663 > - > 6514 > - > - > - > 443344 > - > - > - > - > - > - > - $$$$