LMPK12010408 LIPID_MAPS_STRUCTURE_DATABASE 57 62 0 0 0 999 V2000 9.4504 -2.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4504 -3.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3401 -3.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2298 -3.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2298 -2.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3401 -1.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1196 -3.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0092 -3.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0092 -2.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1196 -1.7587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9762 -1.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8659 -2.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7556 -1.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7556 -0.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8659 -0.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9762 -0.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5528 -0.2266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7283 -1.8555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3401 -4.7632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5837 -2.1923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8659 0.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5612 1.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4767 -1.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8187 -3.7671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0877 -9.2640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5924 -10.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1086 -11.0162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5664 -10.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0526 -11.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0253 -11.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5116 -10.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4842 -10.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9706 -11.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4842 -11.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5116 -11.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9433 -11.0116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7822 -9.4198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8039 -3.6076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9346 -5.2473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0799 -7.0411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9570 -5.4867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7976 -7.9056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3840 -4.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3764 -4.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9422 -5.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5147 -6.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5223 -6.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0948 -7.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4378 -9.8645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5614 -10.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1009 -7.5942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8619 -8.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6822 -9.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7411 -9.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9855 -8.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1653 -7.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4096 -7.2836 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 1 18 1 0 0 0 0 3 19 1 0 0 0 0 13 20 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 20 23 1 0 0 0 0 8 24 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 30 1 0 0 0 0 33 36 1 0 0 0 0 32 37 1 0 0 0 0 42 48 1 0 0 0 47 41 1 0 0 0 41 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 1 0 0 43 24 1 1 0 0 44 38 1 6 0 0 45 39 1 1 0 0 46 40 1 6 0 0 56 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 0 0 0 55 56 1 0 0 0 56 57 1 6 0 0 52 42 1 1 0 0 53 49 1 6 0 0 54 50 1 6 0 0 55 25 1 1 0 0 M CHG 1 10 1 M END > LMPK12010408 > Malvidin 3-O-(6-O-(4-O-caffeoyl-alpha-rhamnopyranosyl)-beta-glucopyranoside) > 3,5,7,4'-Tetrahydroxy-3',5'-dimethoxyflavylium 3-O-(6-O-(4-O-caffeoyl-alpha-rhamnopyranosyl)-beta-glucopyranoside) > C38H41O19 > 801.22 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > OTVHGFISQWNLDE-HVVLFMOCSA-O > InChI=1S/C38H40O19/c1-15-35(57-28(43)7-5-16-4-6-20(40)22(42)8-16)32(47)34(49)37(53-15)52-14-27-30(45)31(46)33(48)38(56-27)55-26-13-19-21(41)11-18(39)12-23(19)54-36(26)17-9-24(50-2)29(44)25(10-17)51-3/h4-13,15,27,30-35,37-38,45-49H,14H2,1-3H3,(H4-,39,40,41,42,43,44)/p+1/t15-,27+,30+,31-,32-,33+,34+,35-,37+,38+/m0/s1 > C1(O)=CC2[O+]=C(C3C=C(OC)C(O)=C(OC)C=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]4[C@H](O)[C@H](O)[C@@H](OC(/C=C/C5C=CC(O)=C(O)C=5)=O)[C@H](C)O4)O3)=CC=2C(O)=C1 > - > - > - > - > - > - > 44257013 > - > - > - > - > - > 33090; 212142 > - $$$$