LMPK12112262 LIPID_MAPS_STRUCTURE_DATABASE 62 67 0 0 0 999 V2000 13.1241 14.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2111 15.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2111 16.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1241 17.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0372 16.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0372 15.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2980 14.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3849 15.4907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4717 14.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4717 13.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3849 13.3821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2980 13.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5588 15.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6457 14.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6457 13.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5588 13.3821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3849 12.5377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 15.4907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0635 13.3400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5588 12.4534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7937 16.9818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1241 17.9998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0220 10.6714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9339 11.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9339 11.9726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8457 10.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7575 11.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7575 11.9734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2991 14.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7781 15.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3520 14.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8730 13.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9260 13.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4584 14.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5127 14.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0344 13.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5019 12.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4476 12.5973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0874 13.4949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0445 15.3259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8713 12.4813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0316 10.4860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3863 9.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3197 11.7739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1447 12.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0486 11.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1276 10.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3050 10.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4011 10.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5784 10.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7048 10.6821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6912 13.3143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3226 12.1545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1320 10.1666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5929 10.9049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2182 8.9093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6860 11.9038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5958 12.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4128 11.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3174 10.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4076 10.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3122 9.3336 0.0000 C 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 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 33 1 0 0 0 0 36 39 1 0 0 0 0 35 40 1 0 0 0 0 49 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 1 0 0 45 19 1 1 0 0 46 41 1 6 0 0 47 42 1 1 0 0 48 43 1 6 0 0 50 51 1 0 0 0 27 51 1 0 0 0 0 56 62 1 0 0 0 61 55 1 0 0 0 55 57 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 59 60 1 0 0 0 60 61 1 0 0 0 61 62 1 1 0 0 57 41 1 1 0 0 58 52 1 6 0 0 59 53 1 1 0 0 60 54 1 6 0 0 52 29 1 0 0 0 0 M END > LMPK12112262 > Quercetin 3-(2''-caffeoylglucoside)-(1->2)-(6''-malonylglucoside) > > C39H38O23 > 874.18 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > GHQZDGVFTPXZGR-MSYNNDOSSA-N > InChI=1S/C39H38O23/c40-12-23-29(51)32(54)36(60-26(49)6-2-14-1-4-17(42)19(44)7-14)38(58-23)62-37-33(55)30(52)24(13-56-27(50)11-25(47)48)59-39(37)61-35-31(53)28-21(46)9-16(41)10-22(28)57-34(35)15-3-5-18(43)20(45)8-15/h1-10,23-24,29-30,32-33,36-46,51-52,54-55H,11-13H2,(H,47,48)/b6-2+/t23-,24-,29-,30-,32+,33+,36-,37-,38+,39+/m1/s1 > C1C=C(O)C(O)=CC=1C1=C(O[C@H]2[C@H](O[C@H]3[C@H](OC(/C=C/C4C=CC(O)=C(O)C=4)=O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@H](O)[C@H](O)[C@@H](COC(=O)CC(O)=O)O2)C(=O)C2C(O)=CC(O)=CC=2O1 > - > - > - > - > - > - > 44259306 > - > - > - > - > - > 33090 > - $$$$