LMPK12112887 LIPID_MAPS_STRUCTURE_DATABASE 45 49 0 0 0 999 V2000 7.5873 11.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5873 10.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4176 9.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2479 10.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2479 11.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4176 11.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0784 9.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9087 10.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9087 11.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0784 11.8399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0784 8.9672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7387 11.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5850 11.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4314 11.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4314 12.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5850 13.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7387 12.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4176 8.9639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8176 9.9689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7572 11.8398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2774 13.3054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5850 14.2824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8452 9.9731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0606 10.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8220 9.9241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8228 8.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8222 6.4622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8208 8.1903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8366 6.2831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3209 9.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3218 9.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8222 8.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3219 7.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3211 7.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8209 6.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8391 4.2768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1056 3.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3774 4.2767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1054 6.2782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9750 5.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9750 4.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1054 4.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2415 4.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2414 5.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3773 6.2781 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 1 20 1 0 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 2 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 1 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 43 38 1 1 0 0 41 36 1 6 0 0 42 37 1 6 0 0 40 29 1 1 0 0 30 19 1 1 0 0 M END > LMPK12112887 > Patuletin-3-robinobioside > > C28H32O17 > 640.16 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > MLOJYABWNDVJMG-GBWWRXBVSA-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(44-14)45-26-19(35)15-13(6-12(31)25(40-2)18(15)34)43-24(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(O)=CC2OC(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)=C1OC > - > - > - > - > - > - > 44575854 > - > - > - > - > - > 33090 > - $$$$