LMPK12010160 LIPID_MAPS_STRUCTURE_DATABASE 55 60 0 0 0 999 V2000 12.4763 10.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4763 9.4679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3438 8.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2111 9.4679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2111 10.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3438 10.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0785 8.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9460 9.4679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9460 10.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0785 10.9704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8132 10.9702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6973 10.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5814 10.9702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5814 11.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6973 12.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8132 11.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6091 10.9702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4652 12.5014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3438 7.9659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6182 8.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6973 13.5221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1556 9.1832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1425 9.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3234 9.3212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1538 10.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4298 11.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4298 12.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3126 12.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3126 13.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4298 14.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5470 13.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5470 12.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4298 15.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6651 14.2658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5995 8.7305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5780 7.0074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5753 5.3036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6061 7.0283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2294 4.5578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1075 7.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0980 7.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5875 7.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0861 6.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0955 6.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5941 5.3176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1571 5.9934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3553 5.1687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7453 6.3161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6351 8.1277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4455 7.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3522 6.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4484 6.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6436 6.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7369 7.7149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9320 8.2886 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 23 24 2 0 0 0 0 23 22 1 0 0 0 0 23 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 31 1 0 0 0 0 31 32 2 0 0 0 0 32 27 1 0 0 0 0 30 33 1 0 0 0 0 31 34 1 0 0 0 0 39 45 1 0 0 0 44 38 1 0 0 0 38 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 1 0 0 40 20 1 1 0 0 41 35 1 6 0 0 42 36 1 1 0 0 43 37 1 6 0 0 54 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 0 0 0 54 55 1 1 0 0 50 19 1 1 0 0 51 46 1 6 0 0 52 47 1 1 0 0 53 48 1 6 0 0 55 22 1 0 0 0 M CHG 1 10 1 M END > LMPK12010160 > Gentiocyanin A > Cyanidin 3-glucoside-5-(6-caffeoylglucoside) > C36H37O19 > 773.19 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > DBWNTBWELCRVQD-AQAMAIGXSA-O > InChI=1S/C36H36O19/c37-12-25-28(44)30(46)32(48)36(54-25)53-24-11-17-22(51-34(24)15-3-5-19(40)21(42)8-15)9-16(38)10-23(17)52-35-33(49)31(47)29(45)26(55-35)13-50-27(43)6-2-14-1-4-18(39)20(41)7-14/h1-11,25-26,28-33,35-37,44-49H,12-13H2,(H4-,38,39,40,41,42,43)/p+1/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1 > C1(O)=CC2[O+]=C(C3C=C(O)C(O)=CC=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C3C=C(O)C(O)=CC=3)=O)O2)=C1 > C16372 > - > 80478 > - > - > - > 23724736 > - > - > - > - > - > 33090; 21496 > - $$$$