LMPK12010119 LIPID_MAPS_STRUCTURE_DATABASE 44 48 0 0 0 999 V2000 7.4033 11.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4033 10.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2888 10.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1742 10.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1742 11.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2888 12.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0597 10.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9450 10.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9450 11.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0597 12.1079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8301 12.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7327 11.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6351 12.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6351 13.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7327 13.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8301 13.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5371 13.6706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5181 12.1076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2888 9.0408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9484 10.0168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7327 14.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8542 9.6668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5040 7.8411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2489 6.3705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6453 8.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8261 5.8808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2738 9.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2266 8.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5512 8.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9236 7.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9708 7.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3432 6.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3690 11.5348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2444 12.0231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6001 10.6446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4724 9.2210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9638 9.1845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7894 9.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0468 10.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9871 11.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6648 10.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4075 9.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0853 8.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9124 7.8240 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 14 17 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 8 20 1 0 0 0 0 15 21 1 0 0 0 0 26 32 1 0 0 0 31 25 1 0 0 0 25 27 1 0 0 0 27 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 1 0 0 27 20 1 1 0 0 28 22 1 6 0 0 29 23 1 1 0 0 30 24 1 6 0 0 37 43 1 0 0 0 42 36 1 0 0 0 36 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 42 43 1 1 0 0 38 22 1 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 41 35 1 6 0 0 43 44 2 0 0 0 M CHG 1 10 1 M END > LMPK12010119 > Cyanidin 3-(2''-glucuronosylglucoside) > 3,5,7,3',4'-Pentahydroxyflavylium 3-(2"-glucuronosylglucoside) > C27H29O17 > 625.14 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > QLKOQFLYESIQLL-ZJNQYPEASA-O > InChI=1S/C27H28O17/c28-7-16-17(33)19(35)24(44-26-21(37)18(34)20(36)23(43-26)25(38)39)27(42-16)41-15-6-10-12(31)4-9(29)5-14(10)40-22(15)8-1-2-11(30)13(32)3-8/h1-6,16-21,23-24,26-28,33-37H,7H2,(H4-,29,30,31,32,38,39)/p+1/t16-,17-,18+,19+,20+,21-,23+,24-,26+,27-/m1/s1 > C1(O)=CC2[O+]=C(C3C=C(O)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](C(=O)O)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC=2C(O)=C1 > - > - > 61505 > - > - > - > 50909830 > - > - > - > - > - > 33090; 41492 > - $$$$