LMPK12010182 LIPID_MAPS_STRUCTURE_DATABASE 78 85 0 0 0 999 V2000 13.4663 9.0647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7776 8.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1330 7.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8929 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2322 7.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2537 7.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9150 8.7165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9392 8.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3023 8.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6412 7.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6170 7.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3276 8.3015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0052 6.4406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7824 16.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7824 15.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6675 15.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5526 15.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5526 16.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6675 17.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4378 15.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3229 15.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3229 16.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4378 17.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2078 17.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1099 16.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0120 17.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0120 18.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1099 18.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2078 18.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8975 17.2665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9139 18.8290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6675 14.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1110 14.9535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1099 19.8705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1309 14.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0864 14.1190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1309 15.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8181 16.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8181 17.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7108 17.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7108 18.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8181 19.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9254 18.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9254 17.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8181 20.2589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6532 12.1744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8907 11.1736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1479 12.1991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9120 14.2133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3851 13.5758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7889 13.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7817 12.6873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8976 12.1868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0264 12.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0336 13.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1623 14.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2721 14.2204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0240 13.0165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6739 12.0642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3185 13.0165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6741 14.9212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8463 14.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8464 13.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6740 13.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4962 13.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4963 14.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3186 14.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1876 12.5106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7078 10.6671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0628 9.3343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4623 11.4259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7834 12.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8652 11.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6260 10.9199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3035 10.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2216 10.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8991 9.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5877 19.2194 0.0000 O 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 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 6 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 14 2 0 0 0 0 17 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 18 1 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 24 1 0 0 0 0 14 30 1 0 0 0 0 27 31 1 0 0 0 0 16 32 1 0 0 0 0 33 21 1 0 0 0 0 28 34 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 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 32 1 1 0 0 52 46 1 6 0 0 53 47 1 1 0 0 54 48 1 6 0 0 66 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 0 0 0 66 67 1 6 0 0 63 58 1 1 0 0 64 59 1 6 0 0 65 60 1 1 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 6 0 0 72 58 1 6 0 0 73 68 1 1 0 0 74 69 1 6 0 0 75 70 1 1 0 0 57 67 1 0 0 0 62 33 1 6 0 0 35 57 1 0 0 0 0 41 78 1 0 0 0 1 77 1 0 0 0 M CHG 1 23 1 M END > LMPK12010182 > Cyanidin 3-(6'',6'''-dicaffeylsophoroside)-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-(3,4-dihydroxyphenyl)propenoyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyloxy] anthocyanidin > C51H53O27 > 1097.28 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > QROHSXUMSFREKB-RPCOPJSUSA-O > InChI=1S/C51H52O27/c52-17-34-39(62)42(65)45(68)49(75-34)73-32-15-23(53)14-31-24(32)16-33(47(72-31)22-5-8-27(56)30(59)13-22)74-51-48(44(67)41(64)36(77-51)19-71-38(61)10-4-21-2-7-26(55)29(58)12-21)78-50-46(69)43(66)40(63)35(76-50)18-70-37(60)9-3-20-1-6-25(54)28(57)11-20/h1-16,34-36,39-46,48-52,62-69H,17-19H2,(H6-,53,54,55,56,57,58,59,60,61)/p+1/t34-,35-,36-,39-,40-,41-,42+,43+,44+,45-,46-,48-,49-,50+,51-/m1/s1 > O(C[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C3C=CC(O)=C(O)C=3)=O)O[C@H]2OC2C(C3C=C(O)C(O)=CC=3)=[O+]C3C=C(O)C=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)C=3C=2)O1)C(/C=C/C1C=C(O)C(O)=CC=1)=O > - > - > 178044 > - > - > - > 100930184 > - > - > - > - > - > 33090; 129201 > - $$$$