LMPR0102070048 LIPID_MAPS_STRUCTURE_DATABASE 39 42 0 0 0 999 V2000 14.5040 -3.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3717 -3.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3717 -4.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5040 -5.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6362 -4.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6362 -3.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6832 -5.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0943 -4.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6832 -3.4729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6362 -2.7806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6362 -5.7024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3736 -6.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3936 -6.2556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0442 -6.7919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5040 -6.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2334 -7.3024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2193 -9.3082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4781 -10.2943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6247 -7.7860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9210 -10.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4981 -7.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3630 -7.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3544 -8.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4839 -9.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6191 -8.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7486 -9.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1524 -10.9097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3248 -11.8968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5040 -2.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3700 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6380 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2132 -10.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4462 -11.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5070 -10.8642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7999 -11.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8340 -11.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5751 -10.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2823 -9.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2482 -9.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 5 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 6 1 0 0 0 6 10 1 1 0 0 5 11 1 1 0 0 7 12 1 0 0 0 12 13 2 0 0 0 12 14 1 0 0 0 4 15 1 1 0 0 20 26 1 0 0 0 25 19 1 0 0 0 19 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 1 0 0 21 15 1 1 0 0 22 16 1 6 0 0 23 17 1 1 0 0 24 18 1 1 0 0 20 27 1 0 0 0 27 28 2 0 0 0 1 29 1 0 0 0 29 30 1 0 0 0 29 31 2 0 0 0 27 32 1 0 0 0 32 33 2 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 2 0 0 0 36 37 1 0 0 0 37 38 2 0 0 0 38 39 1 0 0 0 39 34 2 0 0 0 M END > LMPR0102070048 > Tarenninoside E > > C25H26O13 > 534.14 > Prenol Lipids [PR] > Isoprenoids [PR01] > C10 isoprenoids (monoterpenes) [PR0102] > Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids [PR010207] > 6'-O-(E)-cinnamoylixoside > FCWMFHCKWKKWPV-VAYBDKCBSA-N > InChI=1S/C25H26O13/c26-17(9-6-12-4-2-1-3-5-12)35-11-16-18(27)19(28)20(29)23(37-16)38-24-25(34)14(7-8-15(25)22(32)33)13(10-36-24)21(30)31/h1-6,8-10,14,16,18-20,23-24,27-29,34H,7,11H2,(H,30,31)(H,32,33)/b9-6+/t14-,16-,18+,19+,20-,23+,24+,25-/m1/s1 > C1(C(=O)O)[C@@]2([H])CC=C(C(O)=O)[C@@]2(O)[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](COC(/C=C/C3=CC=CC=C3)=O)O2)OC=1 > - > - > - > - > - > - > 171121220 > - > - > - > - > - > 1547788 > 16792422 $$$$