LMPK12010388 LIPID_MAPS_STRUCTURE_DATABASE 52 56 0 0 0 999 V2000 9.4052 11.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4052 10.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3415 10.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2781 10.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2781 11.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3415 12.2840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2145 10.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1511 10.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1511 11.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2145 12.2840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0871 12.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0416 11.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9961 12.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9961 13.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0416 13.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0871 13.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4691 12.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7381 13.8142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3415 9.0404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8444 10.0723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1222 5.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1882 4.6791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9222 4.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1635 4.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0416 14.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7318 11.8589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2998 3.6847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9501 3.7293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7913 15.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5707 12.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0036 7.1806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7238 5.6771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7868 6.0353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7305 8.4669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6299 7.0414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7041 8.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0352 7.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3926 6.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4242 6.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0933 7.7160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1248 7.8951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8122 10.2304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9332 8.6049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0859 6.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9814 8.3676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8146 5.9696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4047 9.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3885 9.3413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9493 8.5257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5256 7.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5418 7.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1180 6.6685 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 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 20 8 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 15 25 1 0 0 0 0 13 26 1 0 0 0 0 24 27 1 0 0 0 0 24 28 2 0 0 0 0 25 29 1 0 0 0 0 26 30 1 0 0 0 0 35 41 1 0 0 0 40 34 1 0 0 0 34 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 1 0 0 36 19 1 1 0 0 37 31 1 6 0 0 38 32 1 1 0 0 39 33 1 6 0 0 46 52 1 0 0 0 51 45 1 0 0 0 45 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 1 0 0 47 20 1 1 0 0 48 42 1 6 0 0 49 43 1 1 0 0 50 44 1 6 0 0 46 21 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010388 > Malonylmalvin > 3,5,7,4'-Tetrahydroxy-3',5'-dimethoxyflavylium 3-(6"-malonylglucoside)-5-glucoside > C32H37O20 > 741.19 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > Malvidin 3-malonylglucoside 5-glucoside > JVWKTROBNQKVEQ-IXGBFKKYSA-O > InChI=1S/C32H36O20/c1-45-16-3-11(4-17(46-2)23(16)38)30-18(50-32-29(44)27(42)25(40)20(52-32)10-47-22(37)8-21(35)36)7-13-14(48-30)5-12(34)6-15(13)49-31-28(43)26(41)24(39)19(9-33)51-31/h3-7,19-20,24-29,31-33,39-44H,8-10H2,1-2H3,(H2-,34,35,36,38)/p+1/t19-,20-,24-,25-,26+,27+,28-,29-,31-,32-/m1/s1 > C1(O)=CC2[O+]=C(C3C=C(OC)C(O)=C(OC)C=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(CC(=O)O)=O)O3)=CC=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C1 > - > - > - > - > - > - > 101697438 > - > - > - > - > - > 33090; 145756 > - $$$$