LMPK12113124 LIPID_MAPS_STRUCTURE_DATABASE 45 49 0 0 0 0 0 0 0 0999 V2000 8.8305 12.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8306 11.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7020 10.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5734 11.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5733 12.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7020 12.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4445 10.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3159 11.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3160 12.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4445 12.7531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4445 9.7684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2120 12.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1000 12.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9880 12.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9882 13.8464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1001 14.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2119 13.8464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7020 9.7468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9386 14.3949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2947 10.6778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9511 12.7578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7036 13.7572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 14.2782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3182 16.1769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7137 17.5494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1551 15.3953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1919 17.9176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4558 14.7039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5103 14.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2637 15.9165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9616 16.6026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9070 16.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6049 17.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2241 10.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8820 8.4752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6113 6.9863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9879 9.0066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1708 6.4906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6242 9.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5888 9.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9173 8.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2820 7.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3174 8.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6821 7.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7060 7.4309 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 20 8 1 0 0 0 0 4 3 1 0 0 0 0 1 21 1 0 0 0 0 6 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 28 22 1 1 0 0 29 23 1 6 0 0 30 24 1 1 0 0 31 25 1 6 0 0 38 44 1 0 0 0 43 37 1 0 0 0 37 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 1 0 0 39 20 1 1 0 0 40 34 1 6 0 0 41 35 1 1 0 0 42 36 1 6 0 0 44 45 2 0 0 0 M END > LMPK12113124 > Herbacetin 3-glucuronide-8-glucoside > 3,5,7,8,4'-Pentahydroxyflavone 3-glucuronide-8-glucoside > C27H28O18 > 640.13 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > RFUZUTYSTCEPEW-JQHPUGQPSA-N > InChI=1S/C27H28O18/c28-6-11-13(32)15(34)18(37)26(41-11)43-21-10(31)5-9(30)12-14(33)23(20(42-22(12)21)7-1-3-8(29)4-2-7)44-27-19(38)16(35)17(36)24(45-27)25(39)40/h1-5,11,13,15-19,24,26-32,34-38H,6H2,(H,39,40)/t11-,13-,15+,16+,17+,18-,19-,24+,26+,27-/m1/s1 > C1(O)=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C2OC(C3C=CC(O)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 13964101 > - > - > - > - > - > 33090; 1980604 > - $$$$