LMPK12010124 LIPID_MAPS_STRUCTURE_DATABASE 51 56 0 0 0 999 V2000 7.6795 13.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6795 12.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5084 12.1858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3371 12.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3371 13.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5084 14.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1660 12.1858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9948 12.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9948 13.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1660 14.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8234 14.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6681 13.6120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5128 14.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5128 15.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6681 15.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8234 15.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5084 11.2290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6681 16.5381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0295 12.0190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8509 14.0996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3574 15.5626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1070 10.2246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0886 8.4607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0565 8.4632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5610 11.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6952 9.2685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5819 11.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0910 10.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5793 9.3425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5633 9.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0542 10.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0382 10.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6807 7.2319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9096 6.2261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1582 7.2568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9311 9.2809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8123 8.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8051 7.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9167 7.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0412 7.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0484 8.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1727 9.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1378 11.9810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1746 11.9666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1760 10.1983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6285 9.3317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1231 10.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6385 11.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6594 11.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1599 10.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6445 9.3260 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 3 17 1 0 0 0 0 15 18 1 0 0 0 0 19 8 1 0 0 0 0 1 20 1 0 0 0 0 14 21 1 0 0 0 0 26 32 1 0 0 0 31 25 1 0 0 0 25 27 1 0 0 0 27 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 1 0 0 28 22 1 6 0 0 29 23 1 1 0 0 30 24 1 6 0 0 41 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 0 0 0 40 41 1 0 0 0 41 42 1 6 0 0 37 26 1 1 0 0 38 33 1 6 0 0 39 34 1 6 0 0 40 35 1 1 0 0 27 19 1 1 0 0 51 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 0 0 0 50 51 1 0 0 0 47 22 1 1 0 0 48 43 1 6 0 0 49 44 1 1 0 0 50 45 1 6 0 0 M CHG 1 10 1 M END > LMPK12010124 > Cyanidin 3-(2G-xylosylrutinoside) > 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[[2-O-(beta-D-xylopyranosyl)-6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl]oxy]-1-benzopyrylium > C32H39O19 > 727.21 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > ZSWXIMXLLJRVFT-FWYOKSRASA-O > InChI=1S/C32H38O19/c1-10-21(38)24(41)27(44)30(47-10)46-9-20-23(40)25(42)29(51-31-26(43)22(39)17(37)8-45-31)32(50-20)49-19-7-13-15(35)5-12(33)6-18(13)48-28(19)11-2-3-14(34)16(36)4-11/h2-7,10,17,20-27,29-32,37-44H,8-9H2,1H3,(H3-,33,34,35,36)/p+1/t10-,17+,20+,21-,22-,23+,24+,25-,26+,27+,29+,30+,31-,32+/m0/s1 > C1(O)=CC2[O+]=C(C3C=C(O)C(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 > - > - > - > - > - > - > 101921444 > - > - > - > - > - > 33090; 3681 > - $$$$