LMPK12010137 LIPID_MAPS_STRUCTURE_DATABASE 43 47 0 0 0 999 V2000 7.5337 12.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5337 11.2962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4027 10.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2718 11.2962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2718 12.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4027 12.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1408 10.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0098 11.2962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0098 12.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1408 12.8013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8785 12.8011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7642 12.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6497 12.8011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6497 13.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7642 14.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8785 13.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6650 12.8011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5353 14.3352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4027 9.7914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7643 10.8185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7642 15.3576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5446 10.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5446 11.5287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4710 9.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3165 10.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1622 9.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1618 9.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3165 8.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4710 9.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0065 10.4647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0066 8.5131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3166 7.5374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5540 9.9684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7126 7.9933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0838 6.8729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0280 9.2682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5489 6.7659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8448 9.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7395 9.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8178 8.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0034 7.8581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1087 8.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2941 7.7229 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 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 24 1 0 0 0 0 26 30 1 0 0 0 0 27 31 1 0 0 0 0 28 32 1 0 0 0 0 37 43 1 0 0 0 42 36 1 0 0 0 36 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 1 0 0 38 20 1 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 41 35 1 6 0 0 33 22 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010137 > > Cyanidin 3-(2''-galloylglucoside) > C28H25O15 > 601.12 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > WUJWGTHCPFBYPP-LIOZNDITSA-O > InChI=1S/C28H24O15/c29-9-21-23(37)24(38)26(43-27(39)11-4-17(34)22(36)18(35)5-11)28(42-21)41-20-8-13-15(32)6-12(30)7-19(13)40-25(20)10-1-2-14(31)16(33)3-10/h1-8,21,23-24,26,28-29,37-38H,9H2,(H6-,30,31,32,33,34,35,36,39)/p+1/t21-,23-,24+,26-,28-/m1/s1 > C1(O)=CC2[O+]=C(C3C=C(O)C(O)=CC=3)C(O[C@H]3[C@H](OC(C4C=C(O)C(O)=C(O)C=4)=O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC=2C(O)=C1 > - > - > - > - > - > - > 44256742 > - > - > - > - > - > 33090; 4022 > - $$$$