LMPK12010187 LIPID_MAPS_STRUCTURE_DATABASE 84 91 0 0 0 999 V2000 13.9252 9.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3975 9.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9093 8.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5125 9.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0064 8.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0276 8.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5397 8.9801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5637 8.9801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0757 8.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5637 7.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5397 7.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0727 8.1348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0623 9.8488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0623 6.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9820 9.8488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8927 6.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2434 17.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2434 16.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1258 16.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0082 16.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0082 17.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1258 18.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8907 16.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7731 16.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7731 17.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8907 18.2352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6554 18.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5546 17.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4540 18.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4540 19.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5546 19.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6554 19.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3612 18.2348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3532 19.7926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1258 15.1786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5588 15.9289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5546 20.8310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5635 15.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5161 15.0968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5635 16.6616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2486 17.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2486 18.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1385 18.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1385 19.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2486 20.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3586 19.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3586 18.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2486 21.2181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1115 13.1582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3543 12.1604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6168 13.1828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3756 15.1909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8564 14.5553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2498 14.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2427 13.6695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3613 13.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4927 13.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4999 14.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6312 15.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7072 15.1980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4720 13.9977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1169 13.0483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7566 13.9977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1171 15.8967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2919 15.4219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2920 14.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1170 13.9977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9367 14.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9368 15.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7567 15.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6413 13.4933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1629 11.6554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5138 10.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9090 12.4119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2322 13.0811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 12.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0783 11.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7538 11.2433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6691 11.4955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3445 10.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4926 20.1771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0045 20.1771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4927 21.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0044 21.1771 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 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 8 13 1 0 0 0 0 10 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 17 2 0 0 0 0 20 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 21 1 0 0 0 0 25 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 31 1 0 0 0 0 31 32 2 0 0 0 0 32 27 1 0 0 0 0 17 33 1 0 0 0 0 30 34 1 0 0 0 0 19 35 1 0 0 0 0 36 24 1 0 0 0 0 31 37 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 47 42 1 0 0 0 0 45 48 1 0 0 0 0 53 59 1 0 0 0 58 52 1 0 0 0 52 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 58 59 1 1 0 0 54 35 1 1 0 0 55 49 1 6 0 0 56 50 1 1 0 0 57 51 1 6 0 0 69 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 0 0 0 68 69 1 0 0 0 69 70 1 6 0 0 66 61 1 1 0 0 67 62 1 6 0 0 68 63 1 1 0 0 79 74 1 0 0 0 74 75 1 0 0 0 75 76 1 0 0 0 76 77 1 0 0 0 77 78 1 0 0 0 78 79 1 0 0 0 79 80 1 6 0 0 75 61 1 6 0 0 76 71 1 1 0 0 77 72 1 6 0 0 78 73 1 1 0 0 60 70 1 0 0 0 65 36 1 6 0 0 38 60 1 0 0 0 0 1 80 1 0 0 0 46 81 1 0 0 0 44 82 1 0 0 0 81 83 1 0 0 0 82 84 1 0 0 0 M CHG 1 26 1 M END > LMPK12010187 > Cyanidin 3-(6'',6'''-disinapylsophoroside)-5-glucoside > 3',4',7-Trihydroxy-5-(beta-D-glucopyranosyloxy)-3-[6-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)propenoyl]-2-O-[2-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)propenoyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyloxy]anthocyanidin > C55H61O29 > 1185.33 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > OMKHCRCKDGASQY-OHVXOXKGSA-O > InChI=1S/C55H60O29/c1-72-31-11-22(12-32(73-2)41(31)62)5-9-39(60)76-20-37-44(65)47(68)50(71)54(82-37)84-52-48(69)45(66)38(21-77-40(61)10-6-23-13-33(74-3)42(63)34(14-23)75-4)83-55(52)80-35-18-26-29(78-51(35)24-7-8-27(58)28(59)15-24)16-25(57)17-30(26)79-53-49(70)46(67)43(64)36(19-56)81-53/h5-18,36-38,43-50,52-56,64-71H,19-21H2,1-4H3,(H4-,57,58,59,60,61,62,63)/p+1/t36-,37-,38-,43-,44-,45-,46+,47+,48+,49-,50-,52-,53-,54+,55-/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=C(OC)C(O)=C(OC)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(OC)C(O)=C(OC)C=1)=O > - > - > - > - > - > - > 44256792 > - > - > - > - > - > 33090; 3712 > - $$$$