LMPK12010084 LIPID_MAPS_STRUCTURE_DATABASE 48 52 0 0 0 999 V2000 11.2845 12.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2845 11.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1692 10.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0541 11.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0541 12.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1692 12.9176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9389 10.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8238 11.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8238 12.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9389 12.9176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7855 12.9621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6704 12.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5552 12.9621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5552 13.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6704 14.4946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7855 13.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3481 14.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5662 12.8215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1692 9.9296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6289 10.9201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1364 5.3984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4997 6.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8556 7.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5071 6.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8704 7.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2263 8.2590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5522 10.8351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8246 9.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1165 10.8594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8456 12.8337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3689 12.2087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7051 12.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6981 11.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8315 10.8473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9776 11.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9846 12.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1305 12.8457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8950 9.3895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2022 7.5275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2475 7.1996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3031 9.8235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8075 7.7527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2846 9.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9176 9.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5692 8.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 8.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9589 8.8941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9816 8.7303 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 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 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 31 37 1 0 0 0 36 30 1 0 0 0 30 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 0 0 0 36 37 1 1 0 0 32 18 1 1 0 0 33 27 1 6 0 0 34 28 1 1 0 0 35 29 1 6 0 0 42 48 1 0 0 0 47 41 1 0 0 0 41 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 0 0 0 47 48 1 1 0 0 43 20 1 1 0 0 44 38 1 6 0 0 45 39 1 1 0 0 46 40 1 6 0 0 42 25 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010084 > Pelargonidin 3-(6-malonylglucoside)-7-glucoside > 3,5,7,4'-Tetrahydroxyflavylium 3-(6-malonylglucoside)-7-glucoside > C30H33O18 > 681.17 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > FWXROQWVMFXBGG-IEKHAQANSA-O > InChI=1S/C30H32O18/c31-9-18-22(37)24(39)26(41)29(47-18)44-13-5-15(33)14-7-17(28(45-16(14)6-13)11-1-3-12(32)4-2-11)46-30-27(42)25(40)23(38)19(48-30)10-43-21(36)8-20(34)35/h1-7,18-19,22-27,29-31,37-42H,8-10H2,(H2-,32,33,34,35)/p+1/t18-,19-,22-,23-,24+,25+,26-,27-,29-,30-/m1/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2[O+]=C(C3C=CC(O)=CC=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)CC(O)=O)O3)=CC=2C(O)=C1 > - > - > - > - > - > - > 100914222 > - > - > - > - > - > 33090; 46246 > - $$$$