LMPK12010230 LIPID_MAPS_STRUCTURE_DATABASE 44 48 0 0 0 999 V2000 9.2665 10.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2665 9.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1695 8.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0725 9.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0725 10.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1695 11.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9755 8.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8785 9.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8785 10.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9755 11.0021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7810 11.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7014 10.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6215 11.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6215 12.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7014 12.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7810 12.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3640 11.0019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4398 12.5371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1695 7.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5340 8.8395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6857 13.3144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4951 13.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4451 6.3322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7471 4.4561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7776 4.1257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8336 6.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3267 4.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8226 6.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4604 6.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1093 5.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1246 5.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4868 5.8331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5021 5.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5288 8.9999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6655 7.3520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8064 5.5491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6730 7.1112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5178 4.6802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1019 8.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0994 8.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6679 7.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2385 6.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2410 6.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8116 5.3887 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 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 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 19 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 20 1 1 0 0 40 34 1 6 0 0 41 35 1 1 0 0 42 36 1 1 0 0 M CHG 1 10 1 M END > LMPK12010230 > > Peonidin 3-galactoside-5-glucoside > C28H33O16 > 625.18 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > IPVSUYLZIAYTOK-PXECCRJISA-O > InChI=1S/C28H32O16/c1-39-16-4-10(2-3-13(16)32)26-17(42-28-25(38)23(36)21(34)19(9-30)44-28)7-12-14(40-26)5-11(31)6-15(12)41-27-24(37)22(35)20(33)18(8-29)43-27/h2-7,18-25,27-30,33-38H,8-9H2,1H3,(H-,31,32)/p+1/t18-,19-,20-,21+,22+,23+,24-,25-,27-,28-/m1/s1 > C1(O)=CC2[O+]=C(C3C=C(OC)C(O)=CC=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](CO)O2)=C1 > - > - > - > - > - > - > 102153855 > - > - > - > - > - > 33090 > - $$$$