LMPR0102070031 LIPID_MAPS_STRUCTURE_DATABASE 41 43 0 0 0 0 0 0 0 0999 V2000 5.7241 8.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4502 8.5754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7241 9.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 8.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0237 9.0713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3061 8.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5962 8.9712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3014 7.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8790 8.5597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5871 7.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0253 7.3084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8745 7.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1664 8.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5855 6.4904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1573 7.3220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7515 6.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7527 6.0665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4692 7.3144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5879 5.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8682 5.2514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3011 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 6.9122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7191 7.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4244 6.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0166 9.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3209 10.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3209 11.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5454 10.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0166 11.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5489 11.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7228 10.3800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0716 10.7905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9339 9.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7228 11.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0133 12.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7125 12.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3209 9.5728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3209 11.9977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4176 12.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1280 12.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4126 11.5683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9 12 1 0 0 0 0 9 13 1 1 0 0 0 22 15 1 0 0 0 0 22 23 2 0 0 0 0 10 14 1 1 0 0 0 22 24 1 0 0 0 0 12 15 1 6 0 0 0 25 5 1 1 0 0 0 10 12 1 0 0 0 0 13 2 1 0 0 0 0 6 5 1 1 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 1 4 1 0 0 0 0 1 2 1 0 0 0 0 16 11 1 0 0 0 0 16 17 2 0 0 0 0 1 3 2 0 0 0 0 16 18 1 0 0 0 0 26 27 1 0 0 0 0 26 25 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 25 31 1 0 0 0 0 28 32 1 0 0 0 0 28 33 1 1 0 0 0 29 34 2 0 0 0 0 29 35 1 0 0 0 0 35 36 1 0 0 0 0 30 32 1 0 0 0 0 31 34 1 0 0 0 0 26 37 1 1 0 0 0 27 38 1 1 0 0 0 8 10 1 0 0 0 0 19 14 1 0 0 0 0 19 20 2 0 0 0 0 36 39 1 0 0 0 0 8 11 1 6 0 0 0 39 40 1 0 0 0 0 19 21 1 0 0 0 0 39 41 2 0 0 0 0 M END > LMPR0102070031 > 11-Hydroxyiridodial glucoside pentaacetate > > C26H36O13 > 556.22 > Prenol Lipids [PR] > Isoprenoids [PR01] > C10 isoprenoids (monoterpenes) [PR0102] > Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids [PR010207] > > LMOCIFYNGJTLCQ-NALAVQKMSA-N > InChI=1S/C26H36O13/c1-12-7-8-19-18(9-32-13(2)27)10-34-25(21(12)19)39-26-24(37-17(6)31)23(36-16(5)30)22(35-15(4)29)20(38-26)11-33-14(3)28/h10,12,19-26H,7-9,11H2,1-6H3/t12-,19+,20+,21+,22+,23-,24+,25-,26-/m0/s1 > C(=O)(OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@H]([C@@H]1OC(C)=O)OC(C)=O)O[C@@H]1OC=C(COC(=O)C)[C@@]2([H])CC[C@H](C)[C@]21[H])C > C11666 > - > 716 > - > - > - > 443347 > - > - > - > - > - > - > - $$$$