LMPK12010260 LIPID_MAPS_STRUCTURE_DATABASE 47 51 0 0 0 999 V2000 9.4422 11.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4422 10.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3495 9.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2570 10.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2570 11.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3495 11.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1644 9.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0717 10.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0717 11.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1644 11.8028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0580 11.8483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9654 11.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8727 11.8483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8727 12.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9654 13.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0580 12.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6857 13.3656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7057 11.7043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3495 8.7387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8975 9.7544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7513 11.3411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6809 11.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8432 9.7406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8043 8.0483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8195 6.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8855 8.0689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4977 5.6427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3780 8.9109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3508 8.9040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8314 8.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3390 7.2186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3662 7.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8738 6.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0021 6.9056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7406 5.4237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8314 5.7767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7616 8.1735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6911 6.7684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7213 7.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0474 7.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4142 6.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4597 6.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1334 7.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1789 7.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7189 6.7699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2314 5.9288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2342 7.6128 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 1 18 1 0 0 0 0 3 19 1 0 0 0 0 8 20 1 0 0 0 0 13 21 1 0 0 0 0 21 22 1 0 0 0 0 27 33 1 0 0 0 32 26 1 0 0 0 26 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 1 0 0 28 20 1 1 0 0 29 23 1 6 0 0 30 24 1 1 0 0 31 25 1 6 0 0 38 44 1 0 0 0 43 37 1 0 0 0 37 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 1 0 0 39 19 1 1 0 0 40 34 1 6 0 0 41 35 1 1 0 0 42 36 1 6 0 0 38 45 1 0 0 0 45 46 2 0 0 0 45 47 1 0 0 0 M CHG 1 10 1 M END > LMPK12010260 > Peonidin 3-glucoside-5-(6''-acetylglucoside) > 5-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]-3-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium > C30H35O17 > 667.19 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > VVZKXWGDULSESF-FYBHVKCMSA-O > InChI=1S/C30H34O17/c1-11(32)42-10-21-23(36)25(38)27(40)29(47-21)44-17-7-13(33)6-16-14(17)8-19(28(43-16)12-3-4-15(34)18(5-12)41-2)45-30-26(39)24(37)22(35)20(9-31)46-30/h3-8,20-27,29-31,35-40H,9-10H2,1-2H3,(H-,33,34)/p+1/t20-,21-,22-,23-,24+,25+,26-,27-,29-,30-/m1/s1 > C1(O)=CC2[O+]=C(C3C=CC(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(C)=O)O2)=C1 > - > - > - > - > - > - > 101940279 > - > - > - > - > - > 33090; 4030 > - $$$$