LMPK12113184 LIPID_MAPS_STRUCTURE_DATABASE 45 49 0 0 0 999 V2000 7.4445 11.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4445 10.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2655 9.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0865 10.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0865 11.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2655 11.8033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9078 9.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7287 10.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7287 11.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9078 11.8033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9078 8.9617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5497 11.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3865 11.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2231 11.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2231 12.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3865 13.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5497 12.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2655 8.9593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6154 9.9047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0599 13.2524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3865 14.2185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2655 12.7511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7737 11.7165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0606 11.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2337 11.0533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0478 10.2072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2195 8.2177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5886 8.4852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7162 6.5648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4998 9.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3194 10.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2282 9.6332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3138 8.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4942 8.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5800 7.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8576 4.7570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 4.5967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7306 6.2420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1502 7.3086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7210 6.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2917 5.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2915 5.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7257 6.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1551 7.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5892 8.0498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 3 18 1 0 0 0 0 19 8 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 6 22 1 0 0 0 0 1 23 1 0 0 0 0 23 24 1 0 0 0 0 29 35 1 0 0 0 34 28 1 0 0 0 28 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 1 0 0 31 25 1 6 0 0 32 26 1 1 0 0 33 27 1 6 0 0 44 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 6 0 0 40 29 1 1 0 0 41 36 1 6 0 0 42 37 1 6 0 0 43 38 1 1 0 0 30 19 1 1 0 0 M END > LMPK12113184 > Ranupenin 3-rutinoside > > C28H32O17 > 640.16 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > AWDJLPGVCMQRAF-IHXONYQQSA-N > InChI=1S/C28H32O17/c1-8-16(32)20(36)22(38)27(42-8)41-7-14-17(33)21(37)23(39)28(43-14)45-26-19(35)15-12(31)6-13(40-2)18(34)25(15)44-24(26)9-3-4-10(29)11(30)5-9/h3-6,8,14,16-17,20-23,27-34,36-39H,7H2,1-2H3/t8-,14+,16-,17+,20+,21-,22+,23+,27+,28-/m0/s1 > C1(OC)=C(O)C2OC(C3C=C(O)C(O)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)O3)C(=O)C=2C(O)=C1 > - > - > 147317 > - > - > - > 102574477 > - > - > - > - > - > 33090 > - $$$$