LMPK12010023 LIPID_MAPS_STRUCTURE_DATABASE 50 55 0 0 0 999 V2000 7.6593 12.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6593 11.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4994 11.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3396 11.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3396 12.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4994 13.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1798 11.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0199 11.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0199 12.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1798 13.1799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8597 13.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7161 12.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5724 13.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5724 14.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7161 14.6629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8597 14.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4284 14.6628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8194 13.1797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4994 10.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0158 11.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7494 8.5927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3025 9.8960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9488 11.8877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4451 10.9363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6201 9.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5725 9.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3501 10.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1732 11.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2207 11.5852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8519 9.3650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6889 7.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6742 7.8830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4037 10.4601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3942 8.7996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4162 10.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8445 9.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2605 8.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2533 8.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8248 9.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8174 9.7203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3682 7.0511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3408 7.0656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3440 8.8257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8796 9.6884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3828 8.8054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8698 7.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8535 7.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3553 8.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8683 9.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3699 10.5741 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 29 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 26 21 1 1 0 0 27 22 1 6 0 0 28 23 1 1 0 0 34 40 1 0 0 0 39 33 1 0 0 0 33 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 1 0 0 36 30 1 6 0 0 37 31 1 1 0 0 38 32 1 6 0 0 49 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 0 0 0 49 50 1 6 0 0 45 34 1 1 0 0 46 41 1 6 0 0 47 42 1 6 0 0 48 43 1 1 0 0 35 20 1 1 0 0 25 30 1 6 0 0 M CHG 1 10 1 M END > LMPK12010023 > Pelargonidin 3-(2G-xylosylrutinoside) > 3,5,7,4'-Tetrahydroxyflavylium 3-(2G-xylosylrutinoside) > C32H39O18 > 711.21 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > HIIZINPYIPHUJY-ZVQVQWPFSA-O > InChI=1S/C32H38O18/c1-11-21(37)24(40)27(43)30(46-11)45-10-20-23(39)25(41)29(50-31-26(42)22(38)17(36)9-44-31)32(49-20)48-19-8-15-16(35)6-14(34)7-18(15)47-28(19)12-2-4-13(33)5-3-12/h2-8,11,17,20-27,29-32,36-43H,9-10H2,1H3,(H2-,33,34,35)/p+1/t11-,17+,20+,21-,22-,23+,24+,25-,26+,27+,29+,30+,31-,32+/m0/s1 > C1(O)=CC2[O+]=C(C3C=CC(O)=CC=3)C(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)[C@@H](O)[C@H](O)[C@@H](CO[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)O3)=CC=2C(O)=C1 > - > - > - > - > - > - > 44256628 > - > - > - > - > - > 33090; 3681 > - $$$$