LMPK12112966 LIPID_MAPS_STRUCTURE_DATABASE 45 49 0 0 0 999 V2000 13.0986 12.8528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2109 13.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2109 14.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0986 14.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9863 14.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9863 13.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3231 12.8528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4355 13.3653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5479 12.8528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5479 11.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4355 11.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3231 11.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6601 13.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7725 12.8528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7725 11.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6601 11.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4355 10.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 13.3653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2109 11.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6601 10.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8739 14.9029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0986 15.9278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9511 11.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0606 12.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0691 10.4951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2434 8.5011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6063 7.3578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5225 9.7697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0565 7.2386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3436 10.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2503 9.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3366 8.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5179 8.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6110 8.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7923 8.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4943 11.9003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4241 11.3686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9248 9.4352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2863 9.2606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0322 10.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7447 10.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7115 10.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9619 9.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2494 8.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4997 8.0302 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 15 23 1 0 0 0 0 18 24 1 0 0 0 0 29 35 1 0 0 0 34 28 1 0 0 0 28 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 1 0 0 31 25 1 6 0 0 32 26 1 1 0 0 33 27 1 6 0 0 44 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 0 0 0 43 44 1 0 0 0 44 45 1 6 0 0 40 25 1 1 0 0 41 36 1 6 0 0 42 37 1 6 0 0 43 38 1 1 0 0 30 19 1 1 0 0 M END > LMPK12112966 > Quercetagetin 7-methyl ether 3-neohesperidoside > > C28H32O17 > 640.16 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > WLDGTEOTQGGKBE-LEBFXUQQSA-N > InChI=1S/C28H32O17/c1-8-16(32)21(37)23(39)27(41-8)45-26-22(38)18(34)14(7-29)43-28(26)44-25-20(36)15-12(6-13(40-2)17(33)19(15)35)42-24(25)9-3-4-10(30)11(31)5-9/h3-6,8,14,16,18,21-23,26-35,37-39H,7H2,1-2H3/t8-,14+,16-,18+,21+,22-,23+,26+,27-,28-/m0/s1 > C1C=C(O)C(O)=CC=1C1=C(O[C@H]2[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)C(=O)C2C(O)=C(O)C(OC)=CC=2O1 > - > - > - > - > - > - > 100978779 > - > - > - > - > - > 33090 > - $$$$