LMPK12010220 LIPID_MAPS_STRUCTURE_DATABASE 77 84 0 0 0 999 V2000 9.9202 15.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9202 14.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8023 14.0842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6846 14.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6846 15.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8023 16.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5667 14.0842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4489 14.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4489 15.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5667 16.1215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4078 16.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2898 15.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1720 16.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1720 17.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2898 17.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4078 17.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9625 17.6406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2443 14.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2042 16.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8023 13.1424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9683 15.7060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8494 9.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3840 8.5065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8320 9.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3234 8.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3062 8.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7969 9.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7783 9.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2689 8.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7783 7.6694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7969 7.6694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2516 8.5516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2695 10.3148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1949 9.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6764 8.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1936 7.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6591 8.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1506 7.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1332 7.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6239 8.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6052 8.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0959 7.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6052 6.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6239 6.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0785 7.8701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6176 11.1908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8348 10.3749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2420 11.5101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1117 13.3025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6231 12.9011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9135 12.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8212 11.7585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9271 11.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1308 11.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2231 12.8941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4266 13.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8421 12.9985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6573 11.0466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8778 10.2348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2605 12.7502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3637 10.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1534 13.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9523 12.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8584 11.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9687 11.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1698 11.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2800 11.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1128 14.4912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0412 14.1371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6948 12.2935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1352 11.8978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8043 12.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4396 13.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4060 13.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7326 12.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0974 11.7226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4241 10.8008 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 13 21 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 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 26 1 0 0 0 0 29 32 1 0 0 0 0 28 33 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 44 39 1 0 0 0 0 42 45 1 0 0 0 0 34 35 1 0 0 0 0 50 56 1 0 0 0 55 49 1 0 0 0 49 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 1 0 0 51 20 1 1 0 0 52 46 1 6 0 0 53 47 1 1 0 0 54 48 1 6 0 0 61 67 1 0 0 0 66 60 1 0 0 0 60 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 0 0 0 66 67 1 1 0 0 62 18 1 1 0 0 63 57 1 6 0 0 64 58 1 1 0 0 65 59 1 6 0 0 76 71 1 0 0 0 71 72 1 0 0 0 72 73 1 0 0 0 73 74 1 0 0 0 74 75 1 0 0 0 75 76 1 0 0 0 76 77 1 1 0 0 72 57 1 1 0 0 73 68 1 6 0 0 74 69 1 1 0 0 75 70 1 6 0 0 61 22 1 0 0 0 0 34 77 1 0 0 0 M CHG 1 10 1 M END > LMPK12010220 > Cyanidin 3-[2-(6-p-coumarylglucosyl)-6-caffeoylglucoside]-5-glucoside > 3',4',7-Trihydroxy-5-(beta-D-glucopyranosyloxy)-3-[6-O-[(E)-3-(3,4-dihydroxyphenyl)propenoyl]-2-O-[6-O-[(E)-3- (4-hydroxyphenyl)propenoyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyloxy] anthocyanidin > C51H53O26 > 1081.28 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > XOWPCENJGHKMBA-RPCOPJSUSA-O > InChI=1S/C51H52O26/c52-18-34-39(61)42(64)45(67)49(74-34)72-32-16-25(54)15-31-26(32)17-33(47(71-31)23-6-10-28(56)30(58)14-23)73-51-48(44(66)41(63)36(76-51)20-70-38(60)12-5-22-3-9-27(55)29(57)13-22)77-50-46(68)43(65)40(62)35(75-50)19-69-37(59)11-4-21-1-7-24(53)8-2-21/h1-17,34-36,39-46,48-52,61-68H,18-20H2,(H5-,53,54,55,56,57,58,59,60)/p+1/t34-,35-,36-,39-,40-,41-,42+,43+,44+,45-,46-,48-,49-,50+,51-/m1/s1 > C1(O)=CC2[O+]=C(C3C=CC(O)=C(O)C=3)C(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C5C=CC(O)=CC=5)=O)O4)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C4C=CC(O)=C(O)C=4)=O)O3)=CC=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C1 > - > - > - > - > - > - > 178335841 > - > - > - > - > - > 33090; 89639 > - $$$$