LMPK12112421 LIPID_MAPS_STRUCTURE_DATABASE 43 47 0 0 0 0 0 0 0 0999 V2000 7.6433 12.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6433 11.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5146 10.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3860 11.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3860 12.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5146 12.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2574 10.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1285 11.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1285 12.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2574 12.5841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2574 9.7873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2257 12.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1137 12.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0017 12.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0017 13.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1137 14.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2257 13.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5146 9.5660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9523 14.3519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8241 10.3793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1137 15.3410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8895 12.2650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2127 8.9893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7046 7.0932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8122 6.5887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6227 9.1749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3442 6.9986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5727 9.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2665 8.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0106 7.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0645 7.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3706 8.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4244 7.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7251 10.2402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5650 9.5557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8890 7.6242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2963 7.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1309 8.6490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8872 9.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8089 8.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9707 7.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2146 7.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7940 12.5714 0.0000 O 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 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 3 18 1 0 0 0 0 19 15 1 0 0 0 0 4 3 1 0 0 0 0 20 8 1 0 0 0 0 16 21 1 0 0 0 0 14 22 1 0 0 0 0 27 33 1 0 0 0 32 26 1 0 0 0 26 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 0 0 0 32 33 1 1 0 0 29 23 1 6 0 0 30 24 1 1 0 0 31 25 1 6 0 0 42 37 1 0 0 0 37 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 38 23 1 1 0 0 39 34 1 6 0 0 40 35 1 1 0 0 41 36 1 6 0 0 28 20 1 1 0 0 1 43 1 0 0 0 M END > LMPK12112421 > Myricetin 3-sambubioside > 3-[(2-O-beta-D-Xylopyranosyl-beta-D-glucopyranosyl)oxy]-3',4',5,5',7-pentahydroxyflavone > C26H28O17 > 612.13 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > MMKMIFKDPPAMLJ-JWYZLBFDSA-N > InChI=1S/C26H28O17/c27-5-14-18(35)20(37)24(43-25-21(38)17(34)12(32)6-39-25)26(41-14)42-23-19(36)15-9(29)3-8(28)4-13(15)40-22(23)7-1-10(30)16(33)11(31)2-7/h1-4,12,14,17-18,20-21,24-35,37-38H,5-6H2/t12-,14-,17+,18-,20+,21-,24-,25+,26+/m1/s1 > C1(O)=CC2OC(C3C=C(O)C(O)=C(O)C=3)=C(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 101641678 > - > - > - > - > - > 33090; 47064 > - $$$$