LMPK12111684 LIPID_MAPS_STRUCTURE_DATABASE 53 58 0 0 0 999 V2000 11.8650 11.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8650 10.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7581 9.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6507 10.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6507 11.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7581 12.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5436 9.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4362 10.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4362 11.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5436 12.0315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5453 8.9582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3287 12.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2383 11.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1483 12.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1483 13.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2383 13.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3287 13.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9729 12.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0579 13.6072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0687 9.8613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7581 8.9396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8099 10.8262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5435 9.8252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5409 7.8282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9436 8.3240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9914 6.2493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9420 9.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8087 9.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6769 9.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6757 8.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8090 7.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8078 6.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8029 4.2568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9827 3.4238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3565 4.5828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2654 6.4126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0840 5.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9897 4.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0769 4.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2639 4.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3582 5.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5451 6.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4412 10.1018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5041 9.5976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1038 11.0214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3015 12.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7281 12.5296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0069 11.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7411 10.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7698 10.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0698 11.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3356 12.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6355 12.9508 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 26 32 1 0 0 0 31 25 1 0 0 0 25 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 1 0 0 28 22 1 6 0 0 29 23 1 1 0 0 30 24 1 1 0 0 41 36 1 0 0 0 36 37 1 0 0 0 37 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 6 0 0 37 26 1 1 0 0 38 33 1 6 0 0 39 34 1 6 0 0 40 35 1 1 0 0 27 20 1 1 0 0 47 53 1 0 0 0 52 46 1 0 0 0 46 48 1 0 0 0 48 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 1 0 0 48 18 1 1 0 0 49 43 1 6 0 0 50 44 1 1 0 0 51 45 1 6 0 0 M END > LMPK12111684 > Kaempferol 3-robinobioside-7-glucoside > > C33H40O20 > 756.21 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > SCEPATPTKMFDSR-MVQIQBPISA-N > InChI=1S/C33H40O20/c1-10-19(37)23(41)26(44)31(48-10)47-9-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-14(36)6-13(49-32-27(45)24(42)20(38)16(8-34)51-32)7-15(18)50-29(30)11-2-4-12(35)5-3-11/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21-,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/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](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 > - > - > - > - > - > - > 162639121 > - > - > - > - > - > 33090 > - $$$$