LMPK12010401 LIPID_MAPS_STRUCTURE_DATABASE 51 55 0 0 0 999 V2000 11.3234 -3.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2307 -3.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2307 -2.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3234 -1.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4160 -2.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4160 -3.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1379 -3.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0453 -3.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0453 -2.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1379 -1.5256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9097 -1.5503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7770 -2.0512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6443 -1.5503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6443 -0.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7770 -0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9097 -0.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5452 -0.0287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6737 -1.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3234 -4.3077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0508 -3.6463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7990 0.7689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5120 1.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5894 -1.9777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4381 -1.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1025 -4.0231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8021 -5.9887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4509 -7.5720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7243 -5.4237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9190 -8.0992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4011 -4.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4268 -4.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7763 -5.8005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1007 -6.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0748 -6.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3991 -7.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7873 -9.9960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5784 -11.6965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5064 -11.4978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2759 -8.8512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3172 -8.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7512 -9.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1442 -10.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1083 -10.6487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6742 -9.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6382 -9.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6545 -11.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6545 -10.2508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9034 -11.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2410 -11.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6269 -11.4349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2410 -10.2491 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 2 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 3 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 5 18 1 0 0 0 0 1 19 1 0 0 0 0 8 20 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 13 23 1 0 0 0 0 23 24 1 0 0 0 0 29 35 1 0 0 0 34 28 1 0 0 0 28 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 0 0 0 34 35 1 1 0 0 30 20 1 1 0 0 31 25 1 6 0 0 32 26 1 1 0 0 33 27 1 6 0 0 44 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 0 0 0 44 45 1 6 0 0 40 29 1 1 0 0 41 36 1 6 0 0 42 37 1 6 0 0 43 38 1 1 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 2 0 0 0 0 38 46 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010401 > Malvidin 3-O-(6-O-(4-O-malonyl-alpha-rhamnopyranosyl)-beta-glucopyranoside > 2-(4-Hydroxy-3,5-dimethoxyphenyl)-3-[[6-O-[4-O-(carboxyacetyl)-alpha-L-rhamnopyranosyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-1-benzopyrylium > C32H37O19 > 725.19 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > SWOZHJRGJSGUJO-WHZCUQESSA-O > InChI=1S/C32H36O19/c1-11-29(51-22(37)9-21(35)36)26(41)28(43)31(47-11)46-10-20-24(39)25(40)27(42)32(50-20)49-19-8-14-15(34)6-13(33)7-16(14)48-30(19)12-4-17(44-2)23(38)18(5-12)45-3/h4-8,11,20,24-29,31-32,39-43H,9-10H2,1-3H3,(H3-,33,34,35,36,38)/p+1/t11-,20+,24+,25-,26-,27+,28+,29-,31+,32+/m0/s1 > C1(O)=CC(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](CO[C@H]4[C@H](O)[C@H](O)[C@@H](OC(CC(=O)O)=O)[C@H](C)O4)O3)=CC1=2 > - > - > - > - > - > - > 101740989 > - > - > - > - > - > 33090; 519208 > - $$$$