LMPK12010054 LIPID_MAPS_STRUCTURE_DATABASE 60 65 0 0 0 999 V2000 11.1785 10.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1785 9.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0681 9.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9576 9.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9576 10.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0681 11.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8470 9.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7366 9.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7366 10.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8470 11.2442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6258 11.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5324 10.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4392 11.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4392 12.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5324 12.8142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6258 12.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2894 11.2441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3454 12.8141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0681 8.1633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5548 9.1240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0194 14.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5491 15.2025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1090 14.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6657 15.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7530 15.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2325 16.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1713 16.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6305 15.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1508 14.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2120 14.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5684 15.3088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6505 16.8675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0256 4.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0476 4.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1230 4.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1230 5.7215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3399 4.4776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9386 4.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5966 9.3816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6369 9.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3751 10.5799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6761 11.8443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3121 11.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9657 10.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9832 9.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3525 10.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6989 11.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0679 12.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9500 7.7089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4219 5.7929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5025 5.2957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3290 7.9154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0191 5.7213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2926 8.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9901 7.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7242 6.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7646 6.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0670 6.9593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1073 6.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3297 13.4002 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 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 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 25 1 0 0 0 0 28 31 1 0 0 0 0 27 32 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 33 38 2 0 0 0 0 47 42 1 0 0 0 42 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 17 1 1 0 0 44 39 1 6 0 0 45 40 1 1 0 0 46 41 1 6 0 0 53 59 1 0 0 0 58 52 1 0 0 0 52 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 58 59 1 1 0 0 54 20 1 1 0 0 55 49 1 6 0 0 56 50 1 1 0 0 57 51 1 6 0 0 48 60 1 0 0 0 60 21 1 0 0 0 0 53 33 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010054 > Pelargonidin 3-(6''-malonylglucoside)-7-(6'''-caffeylglucoside) > 3,5,7,4'-Tetrahydroxyflavylium 3-(6"-malonylglucoside)-7-(6"'-caffeylglucoside) > C39H39O21 > 843.20 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > ZBRYJKOIAMXBDN-KMKFZPLVSA-O > InChI=1S/C39H38O21/c40-18-5-3-17(4-6-18)37-25(58-39-36(53)34(51)32(49)27(60-39)15-55-30(47)13-28(44)45)12-20-22(42)10-19(11-24(20)57-37)56-38-35(52)33(50)31(48)26(59-38)14-54-29(46)8-2-16-1-7-21(41)23(43)9-16/h1-12,26-27,31-36,38-39,48-53H,13-15H2,(H4-,40,41,42,43,44,45,46)/p+1/t26-,27-,31-,32-,33+,34+,35-,36-,38-,39-/m1/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C3C=CC(O)=C(O)C=3)=O)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 > - > - > - > - > - > - > 44256659 > - > - > - > - > - > 33090; 98709 > - $$$$