LMPK12010214 LIPID_MAPS_STRUCTURE_DATABASE 54 59 0 0 0 999 V2000 7.4236 15.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4236 14.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3039 14.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1843 14.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1843 15.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3039 16.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0646 14.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9448 14.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9448 15.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0646 16.0665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9016 16.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7819 15.6024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6622 16.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6622 17.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7819 17.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9016 17.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4510 17.5825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7385 14.0837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7091 15.9709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3039 13.3407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4755 15.6412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0637 11.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2897 10.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4737 9.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4313 9.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2053 9.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0213 10.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7943 11.4040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1616 9.4060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6148 8.0887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2810 10.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6790 9.7228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9581 12.9037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5451 13.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1430 14.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1537 14.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5668 13.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9691 12.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3814 11.8695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5763 13.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7507 15.3690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5355 13.9391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1231 14.8665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6078 13.3882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9402 11.4214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4051 10.1549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1362 12.4644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8753 9.9129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9056 13.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8402 12.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0055 11.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2380 11.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3034 11.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5359 10.8504 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 14 17 1 0 0 0 0 8 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 13 21 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 22 1 0 0 0 0 27 28 1 0 0 0 0 26 29 1 0 0 0 0 25 30 1 0 0 0 0 23 31 1 0 0 0 0 31 32 2 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 33 1 0 0 0 0 38 39 1 0 0 0 0 37 40 1 0 0 0 0 36 41 1 0 0 0 0 34 42 1 0 0 0 0 42 43 2 0 0 0 0 48 54 1 0 0 0 53 47 1 0 0 0 47 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 1 0 0 49 18 1 1 0 0 50 44 1 6 0 0 51 45 1 1 0 0 52 46 1 6 0 0 31 45 1 0 0 0 0 44 42 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010214 > Cyanidin 3-(2,3-di-galloylglucoside) > 3,5,7,3',4'-Pentahydroxyflavylium 3-(2,3-di-galloylglucoside) > C35H29O19 > 753.13 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > AQZBYUZKEFENRX-PGCPAECGSA-O > InChI=1S/C35H28O19/c36-11-26-29(47)31(53-33(48)13-4-20(41)27(45)21(42)5-13)32(54-34(49)14-6-22(43)28(46)23(44)7-14)35(52-26)51-25-10-16-18(39)8-15(37)9-24(16)50-30(25)12-1-2-17(38)19(40)3-12/h1-10,26,29,31-32,35-36,47H,11H2,(H9-,37,38,39,40,41,42,43,44,45,46,48,49)/p+1/t26-,29-,31+,32-,35-/m1/s1 > C1(O)=CC2[O+]=C(C3C=CC(O)=C(O)C=3)C(O[C@H]3[C@H](OC(=O)C4C=C(O)C(O)=C(O)C=4)[C@@H](OC(=O)C4C=C(O)C(O)=C(O)C=4)[C@H](O)[C@@H](CO)O3)=CC=2C(O)=C1 > - > - > - > - > - > - > 44256819 > - > - > - > - > - > 33090; 4025 > - $$$$