LMPK12010163 LIPID_MAPS_STRUCTURE_DATABASE 61 66 0 0 0 999 V2000 11.6306 12.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6306 11.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4933 10.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3558 11.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3558 12.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4933 12.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2184 10.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0809 11.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0809 12.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2184 12.6598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9432 12.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8223 12.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7014 12.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7014 13.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8223 14.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9432 13.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7685 12.6597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5802 14.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4933 9.6721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8707 10.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8223 15.1972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3230 10.8829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0218 5.7577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1265 5.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1524 5.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2490 5.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3607 5.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4721 5.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4720 4.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3607 3.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2491 4.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5840 3.4934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6406 5.4006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4797 11.3697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7970 10.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0950 11.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3112 10.9281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4797 12.3418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0950 12.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3042 7.6743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4793 6.8392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8487 8.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7628 9.8359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5835 9.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4890 8.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5737 7.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7585 8.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8531 9.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0378 9.9990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6155 11.4827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3464 10.4669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3297 8.4647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7291 8.9803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7347 9.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6071 10.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4741 9.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4657 8.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5933 8.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5849 7.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6762 7.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6039 5.5333 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 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 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 20 8 1 0 0 0 0 15 21 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 23 24 1 0 0 0 0 23 33 2 0 0 0 0 22 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 34 38 2 0 0 0 0 36 39 1 0 0 0 0 48 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 0 0 0 48 49 1 1 0 0 44 19 1 1 0 0 45 40 1 6 0 0 46 41 1 1 0 0 47 42 1 6 0 0 58 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 0 0 0 57 58 1 0 0 0 58 59 1 1 0 0 54 20 1 1 0 0 55 50 1 6 0 0 56 51 1 1 0 0 57 52 1 6 0 0 49 22 1 0 0 0 59 60 1 0 0 0 60 23 1 0 0 0 0 28 61 1 0 0 0 M CHG 1 10 1 M END > LMPK12010163 > Cyanidin 3-(6''-caffeylglucoside)-5-(6'''-malonylglucoside) > 3,5,7,3',4'-Pentahydroxyflavylium 3-(6''-caffeylglucoside)-5-(6'''-malonylglucoside) > C39H39O22 > 859.19 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > GETJVNWBYXAIFC-KMKFZPLVSA-O > InChI=1S/C39H38O22/c40-17-9-23-18(24(10-17)58-38-35(53)33(51)32(50)27(60-38)14-56-30(48)12-28(45)46)11-25(37(57-23)16-3-5-20(42)22(44)8-16)59-39-36(54)34(52)31(49)26(61-39)13-55-29(47)6-2-15-1-4-19(41)21(43)7-15/h1-11,26-27,31-36,38-39,49-54H,12-14H2,(H5-,40,41,42,43,44,45,46,47)/p+1/t26-,27-,31-,32-,33+,34+,35-,36-,38-,39-/m1/s1 > C1(O)=CC2[O+]=C(C3C=C(O)C(O)=CC=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)/C=C/C4C=CC(O)=C(O)C=4)O3)=CC=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)CC(O)=O)O2)=C1 > - > - > - > - > - > - > 101586993 > - > - > - > - > - > 33090; 48385 > - $$$$