LMPK12010254 LIPID_MAPS_STRUCTURE_DATABASE 68 74 0 0 0 999 V2000 10.2471 17.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2471 16.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1316 15.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0158 16.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0158 17.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1316 17.8303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9003 15.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7845 16.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7845 17.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9003 17.8303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6686 17.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5698 17.3095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4712 17.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4712 18.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5698 19.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6686 18.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3631 17.8299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3556 19.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1316 14.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4855 15.7310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6864 10.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2074 9.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7855 10.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2701 9.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2736 9.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7768 10.6986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7833 10.6986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2865 9.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7833 8.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7768 8.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4911 9.8382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5698 20.0829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2691 8.4634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4584 20.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2236 8.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2919 12.7720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6440 11.6356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8412 12.4946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4034 14.6281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9723 13.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3103 14.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3905 13.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5638 12.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6625 13.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5823 14.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6809 14.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2934 14.8723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4536 12.8771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8083 11.7453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7417 14.1649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2578 11.6372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5668 14.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4707 14.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5497 13.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7270 12.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8232 13.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0004 12.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3063 16.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3080 16.5842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2920 14.8465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7886 13.9949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2646 13.2924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2919 14.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7983 15.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8016 15.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2935 14.8523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7871 13.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2791 13.1204 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 29 33 1 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 40 46 1 0 0 0 45 39 1 0 0 0 39 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 0 0 0 45 46 1 1 0 0 41 19 1 1 0 0 42 36 1 6 0 0 43 37 1 1 0 0 44 38 1 6 0 0 51 57 1 0 0 0 56 50 1 0 0 0 50 52 1 0 0 0 52 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 1 0 0 52 20 1 1 0 0 53 47 1 6 0 0 54 48 1 1 0 0 55 49 1 6 0 0 62 68 1 0 0 0 67 61 1 0 0 0 61 63 1 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 65 66 1 0 0 0 66 67 1 0 0 0 67 68 1 1 0 0 63 47 1 1 0 0 64 58 1 6 0 0 65 59 1 1 0 0 66 60 1 6 0 0 51 21 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010254 > > Peonidin 3-ferulyldiglucoside-5-glucoside > C44H51O24 > 963.28 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > YJBRZIKOXLESQY-PWXSKXFRSA-O > InChI=1S/C44H50O24/c1-59-25-9-17(3-6-21(25)48)4-8-31(50)61-16-30-34(53)37(56)41(68-43-39(58)36(55)33(52)29(15-46)66-43)44(67-30)64-27-13-20-23(62-40(27)18-5-7-22(49)26(10-18)60-2)11-19(47)12-24(20)63-42-38(57)35(54)32(51)28(14-45)65-42/h3-13,28-30,32-39,41-46,51-58H,14-16H2,1-2H3,(H2-,47,48,49,50)/p+1/t28-,29-,30-,32-,33-,34-,35+,36+,37+,38-,39-,41-,42-,43+,44-/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=C(OC)C(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 > - > - > - > - > - > - > 44256859 > - > - > - > - > - > 33090 > - $$$$