LMPK12111121 LIPID_MAPS_STRUCTURE_DATABASE 46 50 0 0 0 0 0 0 0 0999 V2000 12.4063 12.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4063 11.5871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2654 11.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1247 11.5871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1247 12.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2654 13.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9841 11.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8434 11.5871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8434 12.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9841 13.0756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9841 10.3405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7023 13.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5781 12.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4541 13.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4541 14.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5781 14.5923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7023 14.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2654 10.3171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5486 11.0922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0892 14.4536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6620 13.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9033 12.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8018 14.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7577 9.1505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6907 8.8012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3598 10.4143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7869 11.7480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1056 12.0221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4577 10.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0922 9.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0560 9.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3907 10.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7561 11.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0906 12.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0935 7.5354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3626 5.5707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3001 5.2247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3586 7.9933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7806 5.8084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3944 8.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0624 7.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6947 6.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6634 6.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9955 7.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9642 6.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3619 13.3717 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 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 18 3 1 0 0 0 0 2 19 1 0 0 0 0 15 20 1 0 0 0 0 1 21 1 0 0 0 0 21 22 1 0 0 0 0 20 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 34 46 2 0 0 0 M END > LMPK12111121 > Scutellarein 7,4'-dimethyl ether 6-sophoroside > 5,6-Dihydroxy-7,4'-dimethoxyflavone 6-glucosyl-(1->2)-glucoside > C29H32O17 > 652.16 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > VGZFCHMXWHSPFV-RAVGKMCFSA-N > InChI=1S/C29H32O17/c1-40-11-5-3-10(4-6-11)13-7-12(31)17-14(42-13)8-15(41-2)24(19(17)33)44-29-26(22(36)21(35)25(45-29)27(38)39)46-28-23(37)20(34)18(32)16(9-30)43-28/h3-8,16,18,20-23,25-26,28-30,32-37H,9H2,1-2H3,(H,38,39)/t16-,18-,20+,21+,22+,23-,25+,26-,28+,29-/m1/s1 > C1(OC)=CC2OC(C3C=CC(OC)=CC=3)=CC(=O)C=2C(O)=C1O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O1 > - > - > - > - > - > - > 178336079 > - > - > - > - > - > 33090; 265497 > - $$$$