LMPK12010406 LIPID_MAPS_STRUCTURE_DATABASE 58 62 0 0 0 999 V2000 13.7728 12.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7728 11.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6658 10.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5590 11.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5590 12.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6658 12.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4520 10.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3451 11.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3451 12.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4520 12.7288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3158 12.7738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2089 12.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1019 12.7738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1019 13.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2089 14.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3158 13.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9022 14.2670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0479 12.6319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6658 9.7131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9332 12.2937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2089 15.1675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9066 15.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8293 12.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1577 10.7128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2614 12.3921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1533 12.9069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1533 13.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0451 12.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9371 12.9069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9371 13.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8614 10.6612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0612 9.8373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4527 10.9836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3408 12.7934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8277 12.3881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1504 12.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0572 11.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1543 10.8226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3502 11.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4434 12.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6392 12.9543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9624 6.0813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3977 7.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8069 7.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4235 7.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8589 8.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2681 8.8814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1807 9.0226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1786 7.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2035 7.3317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7121 9.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8860 8.1236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7045 9.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1932 9.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6897 8.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7023 8.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2136 9.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2260 9.0529 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 13 20 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 20 23 1 0 0 0 0 8 24 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 35 41 1 0 0 0 40 34 1 0 0 0 34 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 1 0 0 36 18 1 1 0 0 37 31 1 6 0 0 38 32 1 1 0 0 39 33 1 6 0 0 29 35 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 52 58 1 0 0 0 57 51 1 0 0 0 51 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 57 58 1 1 0 0 54 48 1 6 0 0 55 49 1 1 0 0 56 50 1 6 0 0 46 52 1 0 0 0 0 53 24 1 1 0 0 M CHG 1 10 1 M END > LMPK12010406 > > Malvidin 3,7-di-(6-malonylglucoside) > C35H39O23 > 827.19 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > MGXVJWFWNDVDSQ-CBPISELESA-O > InChI=1S/C35H38O23/c1-50-17-3-12(4-18(51-2)26(17)43)33-19(56-35-32(49)30(47)28(45)21(58-35)11-53-25(42)9-23(39)40)7-14-15(36)5-13(6-16(14)55-33)54-34-31(48)29(46)27(44)20(57-34)10-52-24(41)8-22(37)38/h3-7,20-21,27-32,34-35,44-49H,8-11H2,1-2H3,(H3-,36,37,38,39,40,43)/p+1/t20-,21-,27-,28-,29+,30+,31-,32-,34-,35-/m1/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)CC(O)=O)O2)=CC2[O+]=C(C3C=C(OC)C(O)=C(OC)C=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)CC(O)=O)O3)=CC=2C(O)=C1 > - > - > - > - > - > - > 101949838 > - > - > - > - > - > 33090; 58949 > - $$$$