LMPK12010194 LIPID_MAPS_STRUCTURE_DATABASE 58 63 0 0 0 999 V2000 10.4628 12.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4628 11.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3141 10.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1640 11.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1640 12.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3141 12.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0152 10.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8650 11.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8650 12.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0152 12.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7177 12.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5707 12.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4222 12.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4222 13.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5707 14.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7177 13.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6100 12.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7177 10.5899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5707 15.0155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2749 14.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3141 9.6024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5968 11.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 11.3679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0887 12.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5968 13.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0887 13.9269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 13.0739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6071 7.7018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6073 7.3638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3197 8.9247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6678 10.2149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0736 10.4802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3168 9.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9633 8.4822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9608 8.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3171 9.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6706 10.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0267 10.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1414 9.1459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6026 7.1907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6438 6.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4668 9.3567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1301 7.1176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4502 9.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1620 8.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8907 7.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9113 7.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1995 8.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2201 8.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8108 10.2973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6426 9.4270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8022 7.4099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1387 7.6999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0558 8.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8905 9.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8082 8.8513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8878 7.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0532 7.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 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 5 10 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 11 16 1 0 0 0 0 1 17 1 0 0 0 0 8 18 1 0 0 0 0 15 19 1 0 0 0 0 14 20 1 0 0 0 0 3 21 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 32 38 1 0 0 0 37 31 1 0 0 0 31 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 0 0 0 37 38 1 1 0 0 33 21 1 1 0 0 34 28 1 6 0 0 35 29 1 1 0 0 36 30 1 6 0 0 32 22 1 0 0 0 0 43 49 1 0 0 0 48 42 1 0 0 0 42 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 48 49 1 1 0 0 44 18 1 1 0 0 45 39 1 6 0 0 46 40 1 1 0 0 47 41 1 6 0 0 58 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 54 39 1 1 0 0 55 50 1 6 0 0 56 51 1 1 0 0 57 52 1 6 0 0 M CHG 1 10 1 M END > LMPK12010194 > Cyanidin 3-O-[2''-O-(xylosyl) glucoside] 5-O-(6'''-O-malonyl) glucoside > 3,5,7,3',4'-Pentahydroxyflavylium 3-O-[2"-O-(xylosyl)glucoside]5-O-(6"'-O-malonyl)glucoside > C35H41O23 > 829.20 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > CVAUKYVPQCYVDV-SMXISLIOSA-O > InChI=1S/C35H40O23/c36-8-20-25(45)28(48)32(58-33-29(49)24(44)16(40)9-52-33)35(56-20)55-19-6-13-17(53-31(19)11-1-2-14(38)15(39)3-11)4-12(37)5-18(13)54-34-30(50)27(47)26(46)21(57-34)10-51-23(43)7-22(41)42/h1-6,16,20-21,24-30,32-36,40,44-50H,7-10H2,(H3-,37,38,39,41,42)/p+1/t16-,20-,21-,24+,25-,26-,27+,28+,29-,30-,32-,33+,34-,35-/m1/s1 > C1(O)C=C2[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)CO4)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC2=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(CC(=O)O)=O)O2)C=1 > - > - > - > - > - > - > 44256799 > - > - > - > - > - > 33090; 3702 > - $$$$