LMPK12111761 LIPID_MAPS_STRUCTURE_DATABASE 54 59 0 0 0 999 V2000 12.4292 14.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4292 13.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3090 13.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1887 13.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1887 14.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3090 15.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0684 13.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9481 13.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9481 14.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0684 15.2218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0684 12.3982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8275 15.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7241 14.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6207 15.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6207 16.2569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7241 16.7746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8275 16.2569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5499 15.2216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3090 12.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2210 16.6035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8504 13.1150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5358 13.2202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7952 12.2318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0741 13.2446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8163 15.2339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3208 14.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6823 14.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6752 13.7267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8021 13.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9417 13.7389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9488 14.7395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 15.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0076 11.3613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0067 9.6278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0097 9.6303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5055 12.2277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6719 10.4216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5088 12.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0091 11.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5062 10.4943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5078 10.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0075 11.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0090 11.3636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9475 8.8794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2495 7.0033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2800 6.6729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3360 9.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8291 7.2302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3250 9.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9627 8.7142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6116 7.7743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6270 7.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9892 8.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0044 8.2152 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 3 19 1 0 0 0 0 20 15 1 0 0 0 0 21 8 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 18 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 37 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 > LMPK12111761 > Kaempferol 3-gentiobioside-7-glucoside > > C33H40O21 > 772.21 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > XQMSVCWAXNJPDA-GZIDCZEMSA-N > InChI=1S/C33H40O21/c34-7-15-19(38)23(42)26(45)31(51-15)48-9-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-13(37)5-12(49-32-27(46)24(43)20(39)16(8-35)52-32)6-14(18)50-29(30)10-1-3-11(36)4-2-10/h1-6,15-17,19-21,23-28,31-40,42-47H,7-9H2/t15-,16-,17-,19-,20-,21-,23+,24+,25+,26-,27-,28-,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](O)[C@H](O)[C@@H](CO[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 44258833 > - > - > - > - > - > 33090 > - $$$$