LMPK12111819 LIPID_MAPS_STRUCTURE_DATABASE 69 75 0 0 0 0 0 0 0 0999 V2000 7.6151 -6.5596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6151 -7.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5456 -8.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4759 -7.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4759 -6.5596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5456 -6.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4059 -8.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3366 -7.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3366 -6.5596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4059 -6.0226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4059 -9.0087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2665 -6.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2146 -6.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1628 -6.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1628 -4.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2146 -4.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2665 -4.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6852 -6.0228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1106 -4.3805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9954 -8.2843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5456 -9.2450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1170 -8.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6387 -7.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9952 -8.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -7.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1336 -7.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5899 -8.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5023 -8.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9584 -7.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5023 -6.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5899 -6.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8691 -7.6144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6860 -7.7256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7116 -7.7114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7409 -5.9976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2103 -5.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7680 -4.4645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7003 -6.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2006 -6.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2110 -6.8602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7258 -6.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2254 -5.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7401 -4.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5435 -9.5860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1808 -11.5615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2921 -12.2311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8868 -9.6087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7611 -11.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8345 -9.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5993 -9.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4161 -10.9108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4719 -11.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7073 -10.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7627 -10.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4356 -8.9124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9649 -10.2144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6008 -12.1848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1271 -11.2247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5771 -13.3617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3073 -10.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2534 -9.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0191 -10.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8369 -11.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8909 -11.8731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7087 -12.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9954 -9.2592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9954 -5.9702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9818 -5.9702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9818 -9.2591 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 1 18 1 0 0 0 0 15 19 1 0 0 0 0 8 20 1 0 0 0 0 3 21 1 0 0 0 0 22 23 2 0 0 0 0 22 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 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 29 32 1 0 0 0 0 37 43 1 0 0 0 42 36 1 0 0 0 36 38 1 0 0 0 38 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 1 0 0 38 18 1 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 41 35 1 6 0 0 48 54 1 0 0 0 53 47 1 0 0 0 47 49 1 0 0 0 49 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 1 0 0 50 44 1 6 0 0 51 45 1 1 0 0 52 46 1 6 0 0 59 65 1 0 0 0 64 58 1 0 0 0 58 60 1 0 0 0 60 61 1 0 0 0 61 62 1 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 64 65 1 1 0 0 60 44 1 1 0 0 61 55 1 6 0 0 62 56 1 1 0 0 63 57 1 6 0 0 49 20 1 1 0 0 22 55 1 0 0 0 0 28 66 1 0 0 0 30 67 1 0 0 0 67 68 1 0 0 0 66 69 1 0 0 0 M END > LMPK12111819 > Kaempferol 3-(2'''-sinapylsophoroside)-7-glucoside > 3,5,7,4'-Tetrahydroxyflavone 3-(2"'-sinapylsophoroside)-7-glucoside > C44H50O25 > 978.26 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > YXXQWPJFPHUNRF-UUPJXWPJSA-N > InChI=1S/C44H50O25/c1-60-22-9-16(10-23(61-2)29(22)51)3-8-27(50)67-40-35(57)31(53)25(14-46)65-43(40)69-41-36(58)32(54)26(15-47)66-44(41)68-39-33(55)28-20(49)11-19(62-42-37(59)34(56)30(52)24(13-45)64-42)12-21(28)63-38(39)17-4-6-18(48)7-5-17/h3-12,24-26,30-32,34-37,40-49,51-54,56-59H,13-15H2,1-2H3/b8-3+/t24-,25-,26-,30-,31-,32-,34+,35+,36+,37-,40-,41-,42-,43+,44+/m1/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC(C3C=CC(O)=CC=3)=C(O[C@H]3[C@H](O[C@H]4[C@H](OC(/C=C/C5C=C(OC)C(O)=C(OC)C=5)=O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 100917771 > - > - > - > - > - > 33090; 3708 > - $$$$