LMPK12010333 LIPID_MAPS_STRUCTURE_DATABASE 61 66 0 0 0 999 V2000 -2.7254 -1.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7254 -2.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8461 -3.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9667 -2.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9667 -1.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8461 -1.3059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0874 -3.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7919 -2.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7919 -1.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0874 -1.3059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7475 -1.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6268 -1.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5062 -1.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5062 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6268 0.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7475 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2941 0.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8484 -3.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4392 -1.4016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8461 -4.2753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6268 1.1610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3247 -1.7343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7189 -7.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3833 -6.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0441 -6.1023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3868 -6.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0512 -5.7269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7120 -4.9578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9613 3.0310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2480 4.5425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1954 4.1825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2466 1.7376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3586 3.1710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2678 1.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9350 2.8508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5809 3.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5546 3.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8874 2.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8611 2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5141 -5.3088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2272 -6.8205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7202 -6.4603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2287 -4.0156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 -5.4489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2075 -4.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5403 -5.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8943 -5.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0794 -5.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4121 -4.7706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3858 -4.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3177 -1.4559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4563 -3.0820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6171 -4.8759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4902 -3.3416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3451 -5.7466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9095 -2.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8979 -2.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4676 -3.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0481 -4.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0594 -4.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6398 -5.0488 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 15 21 1 0 0 0 0 13 22 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 33 39 1 0 0 0 38 32 1 0 0 0 32 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 1 0 0 34 21 1 1 0 0 35 29 1 6 0 0 36 30 1 1 0 0 37 31 1 6 0 0 44 50 1 0 0 0 49 43 1 0 0 0 43 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 1 0 0 45 18 1 1 0 0 46 40 1 6 0 0 47 41 1 1 0 0 48 42 1 6 0 0 27 44 1 0 0 0 0 55 61 1 0 0 0 60 54 1 0 0 0 54 56 1 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 59 60 1 0 0 0 60 61 1 1 0 0 57 51 1 6 0 0 58 52 1 1 0 0 59 53 1 6 0 0 56 22 1 1 0 0 M CHG 1 10 1 M END > LMPK12010333 > Ternatin C5 > 3-[[6-O-(3-Hydroxy-1,3-dioxopropyl)-beta-D-glucopyranosyl]oxy]-3',5'-bis[(beta-D-glucopyranosyl)oxy]-4',5,7-trihydroxyflavylium > C36H43O25 > 875.21 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > WTWWJFYJOBVFTF-KTEHMMPASA-O > InChI=1S/C36H42O25/c37-7-18-24(45)27(48)30(51)34(59-18)56-15-1-10(2-16(23(15)44)57-35-31(52)28(49)25(46)19(8-38)60-35)33-17(5-12-13(40)3-11(39)4-14(12)55-33)58-36-32(53)29(50)26(47)20(61-36)9-54-22(43)6-21(41)42/h1-5,18-20,24-32,34-38,45-53H,6-9H2,(H3-,39,40,41,42,44)/p+1/t18-,19-,20-,24-,25-,26-,27+,28+,29+,30-,31-,32-,34-,35-,36-/m1/s1 > C1(O)=CC2[O+]=C(C3C=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)C(O)=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)C=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 > C16303 > - > 55335 > - > - > - > 10843319 > - > - > - > - > - > 33090; 43366 > 9834153 $$$$