LMPK12111757 LIPID_MAPS_STRUCTURE_DATABASE 54 59 0 0 0 0 0 0 0 0999 V2000 12.3149 12.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3149 11.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1547 11.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9944 11.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9944 12.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1547 13.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8341 11.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6740 11.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6740 12.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8341 13.1193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8341 10.4240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5134 13.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3692 12.6249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2250 13.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2250 14.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3692 14.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5134 14.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1547 10.2108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4756 13.1192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0807 14.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2690 11.0778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1089 11.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1956 10.4411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6545 11.7562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7456 13.4368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1414 13.2474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5216 12.7782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3383 11.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3789 11.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6084 12.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7918 13.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0212 13.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0392 10.0597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0245 7.9938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2311 6.9782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3521 9.5620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6272 7.0067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2517 10.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1425 9.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1338 8.5164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2371 8.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3464 8.5315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4496 8.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8354 11.0798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6171 10.0343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6000 7.9732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9229 8.5038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7734 6.5983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9287 9.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8268 10.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7191 9.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7105 8.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8125 7.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8038 6.9530 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 1 19 1 0 0 0 0 15 20 1 0 0 0 0 8 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 27 19 1 1 0 0 28 22 1 6 0 0 29 23 1 1 0 0 30 24 1 6 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 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 49 33 1 1 0 0 50 44 1 6 0 0 51 45 1 1 0 0 52 46 1 6 0 0 38 21 1 1 0 0 M END > LMPK12111757 > Kaempferol 3-sophoroside-7-glucoside > 3,4',5,7-tetrahydroxyflavone 3-sophoroside-7-glucoside > C33H40O21 > 772.21 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > MBFNAZBJKVFNKZ-JGPRCQAHSA-N > InChI=1S/C33H40O21/c34-7-15-19(39)23(43)26(46)31(50-15)48-12-5-13(38)18-14(6-12)49-28(10-1-3-11(37)4-2-10)29(22(18)42)53-33-30(25(45)21(41)17(9-36)52-33)54-32-27(47)24(44)20(40)16(8-35)51-32/h1-6,15-17,19-21,23-27,30-41,43-47H,7-9H2/t15-,16-,17-,19-,20-,21-,23+,24+,25+,26-,27-,30-,31-,32+,33+/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](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 > - > - > - > - > - > - > 12960460 > - > - > - > - > - > 33090; 3711 > - $$$$