LMPK12010252 LIPID_MAPS_STRUCTURE_DATABASE 66 72 0 0 0 999 V2000 10.2178 15.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2178 14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1167 13.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0155 14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0155 15.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1167 15.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9144 13.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8134 14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8134 15.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9144 15.7112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7117 15.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6279 15.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5439 15.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5439 16.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6279 17.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7117 16.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3194 15.7108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4426 17.2877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1167 12.5978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5041 13.4955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0100 8.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5396 7.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0942 8.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5706 7.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5577 7.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0530 8.5596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0431 8.5596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5382 7.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0431 6.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0530 6.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5295 7.6852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6279 18.3355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3958 18.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4189 10.7220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4452 10.3885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1743 11.9289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4918 13.2023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9315 13.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1324 12.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7835 11.4923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7940 11.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1587 12.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5076 13.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8722 13.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5158 9.4840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3664 12.7837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5302 10.9095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9915 9.8349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9729 12.1018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7446 12.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5969 12.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6779 11.3069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9084 10.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0561 11.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2867 10.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5857 14.2161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4360 13.8762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0633 12.1072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6071 11.7275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7843 10.6732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2897 12.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8993 13.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8265 13.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1400 12.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5304 11.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8440 10.6748 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 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 15 32 1 0 0 0 0 32 33 1 0 0 0 0 38 44 1 0 0 0 43 37 1 0 0 0 37 39 1 0 0 0 39 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 1 0 0 39 19 1 1 0 0 40 34 1 6 0 0 41 35 1 1 0 0 42 36 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 51 46 1 6 0 0 52 47 1 1 0 0 53 48 1 6 0 0 60 66 1 0 0 0 65 59 1 0 0 0 59 61 1 0 0 0 61 62 1 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 65 66 1 1 0 0 61 46 1 1 0 0 62 56 1 6 0 0 63 57 1 1 0 0 64 58 1 6 0 0 45 55 1 0 0 0 50 20 1 1 0 0 45 21 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010252 > > Peonidin 3-p-coumarylsophoroside-5-glucoside > C43H49O23 > 933.27 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > BOTFATMRFBEIQT-FRWPPZSRSA-O > InChI=1S/C43H48O23/c1-58-25-10-18(5-8-22(25)48)39-26(13-21-23(60-39)11-20(47)12-24(21)61-41-37(56)34(53)31(50)27(14-44)63-41)62-43-40(66-42-38(57)35(54)32(51)28(15-45)64-42)36(55)33(52)29(65-43)16-59-30(49)9-4-17-2-6-19(46)7-3-17/h2-13,27-29,31-38,40-45,50-57H,14-16H2,1H3,(H2-,46,47,48,49)/p+1/t27-,28-,29-,31-,32-,33-,34+,35+,36+,37-,38-,40-,41-,42+,43-/m1/s1 > C1(O)=CC2[O+]=C(C3C=C(OC)C(O)=CC=3)C(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C4C=CC(O)=CC=4)=O)O3)=CC=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C1 > - > - > - > - > - > - > 44256857 > - > - > - > - > - > 33090 > - $$$$