LMPK12010305 LIPID_MAPS_STRUCTURE_DATABASE 48 52 0 0 0 999 V2000 7.5549 14.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5549 13.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4448 12.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3349 13.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3349 14.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4448 14.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2247 12.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1146 13.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1146 14.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2247 14.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0042 14.6116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9113 14.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8183 14.6116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8183 15.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9113 16.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0042 15.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6654 14.6116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7249 16.1823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4448 11.5294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0372 12.4825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9113 17.2295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2711 7.7825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1029 8.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0475 6.9543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7249 14.0879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6842 7.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5062 7.6091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4901 6.6641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7285 11.5018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7284 9.5201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0149 8.5336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1543 11.0061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4763 8.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0138 11.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8717 11.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8704 10.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0137 9.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1558 10.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2990 9.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7314 13.2107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7130 13.1966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6872 11.4763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2088 10.6331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7170 11.4961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2184 12.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2117 12.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6987 11.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1973 10.6275 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 15 21 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 13 25 1 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 33 39 1 0 0 0 38 32 1 0 0 0 32 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 1 0 0 35 29 1 6 0 0 36 30 1 1 0 0 37 31 1 6 0 0 48 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 0 0 0 44 29 1 1 0 0 45 40 1 6 0 0 46 41 1 1 0 0 47 42 1 6 0 0 33 22 1 0 0 0 0 34 20 1 1 0 0 M CHG 1 10 1 M END > LMPK12010305 > > Delphinidin 3-(6''-malonylsambubioside) > C29H31O19 > 683.15 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > QYSFQBVCEXFFIK-PGEYPVAQSA-O > InChI=1S/C29H30O19/c30-10-3-12(31)11-5-17(26(45-16(11)4-10)9-1-13(32)21(38)14(33)2-9)46-29-27(48-28-25(42)22(39)15(34)7-44-28)24(41)23(40)18(47-29)8-43-20(37)6-19(35)36/h1-5,15,18,22-25,27-29,34,39-42H,6-8H2,(H5-,30,31,32,33,35,36,38)/p+1/t15-,18-,22+,23-,24+,25-,27-,28+,29-/m1/s1 > C1(O)=CC2[O+]=C(C3C=C(O)C(O)=C(O)C=3)C(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)[C@@H](O)[C@H](O)[C@@H](COC(=O)CC(=O)O)O3)=CC=2C(O)=C1 > - > - > - > - > - > - > 101992370 > - > - > - > - > - > 33090; 529701 > - $$$$