LMPR0102070021 LIPID_MAPS_STRUCTURE_DATABASE 40 42 0 0 0 0 0 0 0 0999 V2000 5.7265 8.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4507 8.5736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7265 9.8232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 8.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0150 9.0712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2992 8.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5912 8.9666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2945 7.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8759 8.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5820 7.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0166 7.3068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8714 7.7289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1651 8.9702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5804 6.4902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1559 7.3204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7410 6.8959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7422 6.0649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4610 7.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5828 5.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8651 5.2514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2943 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4347 6.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7216 7.3277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4289 6.0832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0078 9.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3035 10.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3035 11.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5292 10.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0078 11.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5292 11.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7167 10.3702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0592 10.7824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7167 11.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0078 12.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7132 12.8147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3035 12.8216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4177 12.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2966 9.5554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2966 12.0033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8209 9.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19 20 2 0 0 0 0 8 11 1 6 0 0 0 19 21 1 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 8 10 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 29 33 2 0 0 0 0 29 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 35 37 1 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 26 38 1 1 0 0 0 27 39 1 1 0 0 0 19 14 1 0 0 0 0 28 40 1 6 0 0 0 M END > LMPR0102070021 > 8-Epideoxyloganin tetraacetate > > C25H34O13 > 542.20 > Prenol Lipids [PR] > Isoprenoids [PR01] > C10 isoprenoids (monoterpenes) [PR0102] > Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids [PR010207] > > YAAQITKFMRGHMP-UMSQOAOASA-N > InChI=1S/C25H34O13/c1-11-7-8-16-17(23(30)31-6)9-33-24(19(11)16)38-25-22(36-15(5)29)21(35-14(4)28)20(34-13(3)27)18(37-25)10-32-12(2)26/h9,11,16,18-22,24-25H,7-8,10H2,1-6H3/t11-,16-,18-,19-,20-,21+,22-,24+,25+/m1/s1 > C(=O)(OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1OC(C)=O)OC(C)=O)OC(C)=O)O[C@@H]1OC=C(C(=O)OC)[C@@]2([H])CC[C@@H](C)[C@]21[H])C > C11650 > - > 2316 > - > - > - > 443333 > - > - > - > - > - > - > - $$$$