LMPK12111972 LIPID_MAPS_STRUCTURE_DATABASE 77 84 0 0 0 0 0 0 0 0999 V2000 19.6034 17.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6034 16.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5081 16.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4129 16.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4129 17.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5081 18.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6985 16.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7938 16.8085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8891 16.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8891 15.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7938 14.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6985 15.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9843 16.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0797 16.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0797 15.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9843 14.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7938 13.8094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1749 16.8085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5567 14.6909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1735 18.2924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9843 13.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7548 15.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7981 15.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3198 16.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3630 16.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8853 15.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9300 15.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4525 16.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9300 17.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8853 17.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4957 16.5968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.4518 14.7884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6538 14.9172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7549 14.4230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3823 15.8185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5365 17.2600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0141 17.2969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2281 16.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9674 15.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0154 15.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3292 16.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5899 17.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9035 17.7098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3895 14.1265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4274 14.1406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4628 15.8439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9167 16.6786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4897 17.3671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4036 15.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9072 14.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9238 14.9866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4416 15.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9380 16.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4557 17.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0322 13.4056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6913 11.4733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8511 10.8062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4369 13.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3536 11.0865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3606 13.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1119 13.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9399 12.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0198 11.7702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2684 12.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3482 12.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3038 14.8994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2335 14.5450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8877 12.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3261 12.3040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5967 11.2045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9950 13.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6308 13.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5979 13.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9249 12.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2891 12.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6161 11.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2647 16.5422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 5 20 1 0 0 0 0 16 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 25 1 0 0 0 0 28 31 1 0 0 0 0 27 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 49 35 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 61 55 1 6 0 0 62 56 1 1 0 0 63 57 1 6 0 0 70 76 1 0 0 0 75 69 1 0 0 0 69 71 1 0 0 0 71 72 1 0 0 0 72 73 1 0 0 0 73 74 1 0 0 0 74 75 1 0 0 0 75 76 1 1 0 0 71 55 1 1 0 0 72 66 1 6 0 0 73 67 1 1 0 0 74 68 1 6 0 0 22 77 2 0 0 0 22 66 1 0 0 0 60 19 1 1 0 0 M END > LMPK12111972 > Kaempferol 3-(2'''-(E)-caffeoylglucosyl)-(1->2)-glucoside-7-cellobioside > > C48H56O29 > 1096.29 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > CZBTUCJIUINASC-SWVLZPEQSA-N > InChI=1S/C48H56O29/c49-12-24-30(58)34(62)38(66)46(70-24)75-41-27(15-52)73-45(39(67)37(41)65)68-19-10-22(56)29-23(11-19)69-40(17-3-5-18(53)6-4-17)42(33(29)61)76-48-44(36(64)32(60)26(14-51)72-48)77-47-43(35(63)31(59)25(13-50)71-47)74-28(57)8-2-16-1-7-20(54)21(55)9-16/h1-11,24-27,30-32,34-39,41,43-56,58-60,62-67H,12-15H2/b8-2+/t24-,25-,26-,27-,30-,31-,32-,34+,35+,36+,37-,38-,39-,41-,43-,44-,45-,46+,47+,48+/m1/s1 > C1C=C(O)C=CC=1C1=C(O[C@H]2[C@H](O[C@H]3[C@H](OC(=O)/C=C/C4C=CC(O)=C(O)C=4)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)C(=O)C2C(O)=CC(O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@@H](CO)O3)=CC=2O1 > - > - > - > - > - > - > 100953251 > - > - > - > - > - > 33090; 3712 > - $$$$