LMPK12111824 LIPID_MAPS_STRUCTURE_DATABASE 69 75 0 0 0 999 V2000 11.5159 15.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5159 14.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4491 13.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3824 14.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3824 15.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4491 15.9734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3156 13.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2487 14.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2487 15.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3156 15.9734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3156 12.9784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4238 16.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3749 15.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3259 16.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3259 17.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3749 17.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4238 17.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4491 12.7411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3438 17.8669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6511 16.1959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4775 13.3670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1754 11.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5100 10.6919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8966 12.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8770 12.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5699 13.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2116 14.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8849 14.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9165 14.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2748 13.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6015 12.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5926 15.5539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5253 15.9184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3105 13.5812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5915 12.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0257 16.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9500 14.3138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9422 13.9745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6493 15.5415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0070 16.8370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4024 17.1033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6586 16.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3036 15.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2970 14.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6507 15.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0057 16.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3592 17.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2476 12.7449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5376 10.8364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5341 10.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5910 13.1897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0581 11.0673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5971 13.3613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2460 12.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8888 11.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8870 11.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2382 12.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2364 12.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7531 11.8247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0551 9.9487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0856 9.6183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1416 12.2620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6347 10.1756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1306 12.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7683 11.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4172 10.7197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4326 10.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7948 11.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8100 11.1605 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 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 15 1 0 0 0 0 4 3 1 0 0 0 0 1 20 1 0 0 0 0 21 8 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 28 33 1 0 0 0 0 30 34 1 0 0 0 0 34 35 1 0 0 0 0 33 36 1 0 0 0 0 41 47 1 0 0 0 46 40 1 0 0 0 40 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 1 0 0 43 37 1 6 0 0 44 38 1 1 0 0 45 39 1 6 0 0 52 58 1 0 0 0 57 51 1 0 0 0 51 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 57 58 1 1 0 0 53 37 1 1 0 0 54 48 1 6 0 0 55 49 1 1 0 0 56 50 1 6 0 0 42 20 1 1 0 0 63 69 1 0 0 0 68 62 1 0 0 0 62 64 1 0 0 0 64 65 1 0 0 0 65 66 1 0 0 0 66 67 1 0 0 0 67 68 1 0 0 0 68 69 1 1 0 0 64 21 1 1 0 0 65 59 1 6 0 0 66 60 1 1 0 0 67 61 1 6 0 0 59 22 1 0 0 0 0 M END > LMPK12111824 > Kaempferol 3-(2''-sinapylglucoside)-7-sophoroside > > C44H50O25 > 978.26 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > JLYSGWXWSOZJMT-NLNDJUBDSA-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)26(15-47)66-44(40)68-39-33(55)28-20(49)11-19(12-21(28)63-38(39)17-4-6-18(48)7-5-17)62-43-41(36(58)32(54)25(14-46)65-43)69-42-37(59)34(56)30(52)24(13-45)64-42/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]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC(C3C=CC(O)=CC=3)=C(O[C@H]3[C@H](OC(/C=C/C4C=C(OC)C(O)=C(OC)C=4)=O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 44258896 > - > - > - > - > - > 33090 > - $$$$