LMPK12010410 LIPID_MAPS_STRUCTURE_DATABASE 49 53 0 0 0 999 V2000 9.5117 10.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5117 9.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4256 9.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3391 9.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3391 10.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4256 11.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2529 9.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1666 9.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1666 10.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2529 11.3282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1596 11.3742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0734 10.8466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9871 11.3742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9871 12.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0734 12.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1596 12.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8057 12.9019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7700 11.2290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4256 8.2427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8373 10.8830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0734 13.8232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7871 14.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7545 11.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9982 9.2655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5826 6.2885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9685 5.1754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2025 6.0168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7328 8.1068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3514 7.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6211 7.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6996 6.7093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8898 6.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0070 6.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9285 7.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0454 7.9710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7689 8.4244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9259 6.4699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3143 5.3613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2696 7.7315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7955 5.2554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0777 8.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9631 7.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0405 6.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2347 6.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3493 6.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5434 6.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4057 7.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7118 6.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1537 8.4810 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 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 29 35 1 0 0 0 34 28 1 0 0 0 28 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 1 0 0 30 19 1 1 0 0 31 25 1 6 0 0 32 26 1 1 0 0 33 27 1 6 0 0 40 46 1 0 0 0 45 39 1 0 0 0 39 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 1 0 0 41 24 1 1 0 0 42 36 1 6 0 0 43 37 1 1 0 0 44 38 1 6 0 0 29 47 1 0 0 0 47 48 1 0 0 0 47 49 2 0 0 0 M CHG 1 10 1 M END > LMPK12010410 > Malvidin 3-glucoside-5-(6-acetylglucoside) > 3,5,7,4'-Tetrahydroxy-3',5'-dimethoxyflavylium 3-glucoside-5-(6-acetylglucoside) > C30H35O19 > 699.18 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > JGLPYOOPDJNLDC-BTXJZROQSA-O > InChI=1S/C30H34O19/c1-42-15-3-10(4-16(43-2)20(15)33)27-17(47-29-25(38)23(36)21(34)18(8-31)48-29)7-12-13(45-27)5-11(32)6-14(12)46-28-26(39)24(37)22(35)19(49-28)9-44-30(40)41/h3-7,18-19,21-26,28-29,31,34-39H,8-9H2,1-2H3,(H2-,32,33,40,41)/p+1/t18-,19-,21-,22-,23+,24+,25-,26-,28-,29-/m1/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)O3)=CC=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)O)O2)=C1 > - > - > - > - > - > - > 44257015 > - > - > - > - > - > 33090; 4028 > - $$$$