LMPK12112154 LIPID_MAPS_STRUCTURE_DATABASE 70 76 0 0 0 999 V2000 16.6623 -3.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4453 -2.7020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7407 -4.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4327 -4.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5215 -5.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3668 -5.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4481 -6.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6840 -7.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8387 -6.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7576 -6.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7653 -8.2781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2929 -7.2084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8628 -1.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8628 -2.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8060 -3.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7492 -2.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7492 -1.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8060 -0.8788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6921 -3.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6356 -2.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6356 -1.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6921 -0.8788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6921 -3.9061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5784 -0.8791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5395 -1.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5008 -0.8791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5008 0.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5395 0.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5784 0.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9200 -0.8791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4617 0.7860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3035 -3.1718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8060 -4.1457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8729 -4.4914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5053 -6.4941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5904 -7.1730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1795 -4.5144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0385 -6.8710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1404 -4.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9156 -4.8307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7300 -5.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7728 -6.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9975 -5.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0400 -5.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7912 -3.8085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3416 -5.1284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9724 -7.1260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4645 -6.1527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9346 -8.3192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6472 -5.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6065 -4.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3827 -5.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1980 -6.4687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2389 -6.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0541 -7.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5395 1.7860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6309 -1.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2787 -0.6772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0815 -1.5362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5192 -3.6697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9504 -2.8249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6124 -3.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5322 -2.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3590 -1.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2602 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3403 -3.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2417 -3.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3800 -8.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0196 -7.5286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1065 -8.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 1 0 0 0 0 7 12 1 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 18 1 0 0 0 0 18 13 2 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 17 1 0 0 0 0 19 23 2 0 0 0 0 21 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 24 1 0 0 0 0 13 30 1 0 0 0 0 27 31 1 0 0 0 0 20 32 1 0 0 0 0 15 33 1 0 0 0 0 38 44 1 0 0 0 43 37 1 0 0 0 37 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 1 0 0 40 34 1 6 0 0 41 35 1 1 0 0 42 36 1 6 0 0 49 55 1 0 0 0 54 48 1 0 0 0 48 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 1 0 0 50 34 1 1 0 0 51 45 1 6 0 0 52 46 1 1 0 0 53 47 1 6 0 0 39 32 1 1 0 0 28 56 1 0 0 0 61 67 1 0 0 0 66 60 1 0 0 0 60 62 1 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 65 66 1 0 0 0 66 67 1 1 0 0 62 45 1 1 0 0 63 57 1 6 0 0 64 58 1 1 0 0 65 59 1 6 0 0 61 1 1 0 0 0 0 12 68 1 0 0 0 9 69 1 0 0 0 69 70 1 0 0 0 M END > LMPK12112154 > Quercetin 3-(6''''-sinapylsophorotrioside) > > C44H50O26 > 994.26 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > XGPMZWIBBAEMRZ-LMMWVLHISA-N > InChI=1S/C44H50O26/c1-61-22-7-15(8-23(62-2)29(22)52)3-6-27(51)63-14-26-32(55)34(57)37(60)42(67-26)69-40-35(58)30(53)25(13-46)66-44(40)70-41-36(59)31(54)24(12-45)65-43(41)68-39-33(56)28-20(50)10-17(47)11-21(28)64-38(39)16-4-5-18(48)19(49)9-16/h3-11,24-26,30-32,34-37,40-50,52-55,57-60H,12-14H2,1-2H3/b6-3+/t24-,25-,26-,30-,31-,32-,34+,35+,36+,37-,40-,41-,42+,43+,44+/m1/s1 > C(OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=C(C3C=C(O)C(O)=CC=3)OC3C=C(O)C=C(O)C=3C2=O)O1)(/C=C/C1C=C(OC)C(O)=C(OC)C=1)=O > - > - > - > - > - > - > 101930088 > - > - > - > - > - > 33090 > - $$$$