LMPK12010285 LIPID_MAPS_STRUCTURE_DATABASE 52 57 0 0 0 0 0 0 0 0999 V2000 7.4795 14.7657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4795 13.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3526 13.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2257 13.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2257 14.7657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3526 15.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0988 13.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9720 13.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9720 14.7657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0988 15.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8449 15.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7348 14.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6247 15.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6247 16.2970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7348 16.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8449 16.2970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6067 15.2695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5143 16.8108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3526 12.2454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1308 13.1035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7348 17.8382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5143 14.7559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1306 11.4793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1484 9.7783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1887 9.7807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6753 12.3296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8759 10.5573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6598 12.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1507 11.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6572 10.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6775 10.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1866 11.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2067 11.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8620 8.5933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1540 7.6233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4650 8.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1748 10.5693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0246 10.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0176 9.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1608 8.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3165 9.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3235 10.0842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4790 10.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8383 12.4492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5324 11.4550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5160 9.4954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9708 10.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9762 10.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8301 11.4694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6786 10.9699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6704 9.9903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8165 9.5054 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 13 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 29 23 1 6 0 0 30 24 1 1 0 0 31 25 1 6 0 0 42 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 0 0 0 42 43 1 6 0 0 38 27 1 1 0 0 39 34 1 6 0 0 40 35 1 6 0 0 41 36 1 1 0 0 28 20 1 1 0 0 52 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 51 52 1 0 0 0 48 23 1 1 0 0 49 44 1 6 0 0 50 45 1 1 0 0 51 46 1 6 0 0 M CHG 1 10 1 M END > LMPK12010285 > Delphinidin 3-(2G-xylosylrutinoside) > 5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-[2-O-(beta-D-xylopyranosyl)-6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyloxy]-1-benzopyrylium > C32H39O20 > 743.20 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > WEXMBFDTPSZAAO-JMTFCGBESA-O > InChI=1S/C32H38O20/c1-9-20(38)24(42)27(45)30(48-9)47-8-19-23(41)25(43)29(52-31-26(44)22(40)16(37)7-46-31)32(51-19)50-18-6-12-13(34)4-11(33)5-17(12)49-28(18)10-2-14(35)21(39)15(36)3-10/h2-6,9,16,19-20,22-27,29-32,37-38,40-45H,7-8H2,1H3,(H4-,33,34,35,36,39)/p+1/t9-,16+,19+,20-,22-,23+,24+,25-,26+,27+,29+,30+,31-,32+/m0/s1 > C1(O)=CC2[O+]=C(C3C=C(O)C(O)=C(O)C=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 > - > - > - > - > - > - > 101921702 > - > - > - > - > - > 33090; 4006 > - $$$$