LMPK12113190 LIPID_MAPS_STRUCTURE_DATABASE 47 51 0 0 0 999 V2000 7.6471 11.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6471 10.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5614 10.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4757 10.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4757 11.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5614 12.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3901 10.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3044 10.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3044 11.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3901 12.4304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3901 9.2631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2188 12.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1507 11.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0827 12.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0827 13.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1507 14.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2188 13.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5614 9.2631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9970 14.0345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 12.4304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1982 10.3309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5614 13.4862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1507 15.1005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4007 13.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7965 15.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9808 9.3406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9663 7.3043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1986 6.3032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3322 8.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6176 6.3313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2189 9.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0969 8.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0883 7.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2045 7.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3265 7.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4426 7.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7512 10.3461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5074 9.3155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4905 7.2840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8518 7.8070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6758 5.9288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8575 8.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7427 9.3304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6223 8.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6138 7.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7286 7.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7201 6.2784 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 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 1 20 1 0 0 0 0 21 8 1 0 0 0 0 6 22 1 0 0 0 0 16 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 30 36 1 0 0 0 35 29 1 0 0 0 29 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 0 0 0 35 36 1 1 0 0 32 26 1 6 0 0 33 27 1 1 0 0 34 28 1 6 0 0 41 47 1 0 0 0 46 40 1 0 0 0 40 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 1 0 0 42 26 1 1 0 0 43 37 1 6 0 0 44 38 1 1 0 0 45 39 1 6 0 0 31 21 1 1 0 0 M END > LMPK12113190 > Limocitrin 3-sophoroside > > C29H34O18 > 670.17 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > XVMFKSYZWYZRFY-FKFRMDLYSA-N > InChI=1S/C29H34O18/c1-41-13-5-9(3-4-10(13)32)23-26(19(37)16-11(33)6-12(34)24(42-2)25(16)45-23)46-29-27(21(39)18(36)15(8-31)44-29)47-28-22(40)20(38)17(35)14(7-30)43-28/h3-6,14-15,17-18,20-22,27-36,38-40H,7-8H2,1-2H3/t14-,15-,17-,18-,20+,21+,22-,27-,28+,29+/m1/s1 > C1(O)=C(OC)C2OC(C3C=C(OC)C(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 > - > - > - > - > - > - > 14017572 > - > - > - > - > - > 33090 > - $$$$