LMPK12113108 LIPID_MAPS_STRUCTURE_DATABASE 45 49 0 0 0 0 0 0 0 0999 V2000 7.5652 12.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5652 11.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4428 10.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3204 11.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3204 12.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4428 12.8907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1982 10.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0758 11.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0758 12.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1982 12.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1982 10.0736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9532 12.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8478 12.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7422 12.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7422 13.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8478 14.4399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9532 13.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6878 12.8904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6977 10.7570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4428 9.8507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7424 14.5007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4328 13.5466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2167 13.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4407 9.7503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4263 7.7275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6704 6.7331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8098 9.2629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0999 6.7610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6906 9.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5627 9.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5542 8.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6763 7.7422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8041 8.2540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9261 7.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1459 11.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1404 11.9829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4245 10.4262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0827 9.1395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6700 8.8748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4354 9.9197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7880 10.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7879 11.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4300 10.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0773 9.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7195 8.5306 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 8 19 1 0 0 0 0 3 20 1 0 0 0 0 21 15 1 0 0 0 0 6 22 1 0 0 0 0 22 23 1 0 0 0 0 28 34 1 0 0 0 33 27 1 0 0 0 27 29 1 0 0 0 29 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 1 0 0 30 24 1 6 0 0 31 25 1 1 0 0 32 26 1 6 0 0 39 45 1 0 0 0 44 38 1 0 0 0 38 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 1 0 0 40 24 1 1 0 0 41 35 1 6 0 0 42 36 1 1 0 0 43 37 1 6 0 0 29 19 1 1 0 0 M END > LMPK12113108 > Sexangularetin 3-sophoroside > 3,5,7,4'-Tetrahydroxy-8-methoxyflavone 3-glucosyl-(1->2)-glucoside > C28H32O17 > 640.16 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > MFWGLPLRRMATKY-BLYKTPPTSA-N > InChI=1S/C28H32O17/c1-40-23-12(33)6-11(32)15-18(36)25(22(43-24(15)23)9-2-4-10(31)5-3-9)44-28-26(20(38)17(35)14(8-30)42-28)45-27-21(39)19(37)16(34)13(7-29)41-27/h2-6,13-14,16-17,19-21,26-35,37-39H,7-8H2,1H3/t13-,14-,16-,17-,19+,20+,21-,26-,27+,28+/m1/s1 > C1(O)=C(OC)C2OC(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 > - > - > - > - > - > - > 14017570 > - > - > - > - > - > 33090; 13626 > - $$$$