LMPK12010067 LIPID_MAPS_STRUCTURE_DATABASE 49 54 0 0 0 999 V2000 8.7501 13.7725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6296 14.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6296 15.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7501 15.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8706 15.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8706 14.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5092 13.7725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3887 14.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3887 15.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5092 15.8037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3192 15.8332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1512 15.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9831 15.8332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9831 16.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1512 17.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3192 16.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7355 17.2282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0497 15.7699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7501 13.0720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8662 13.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9127 7.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1225 7.2915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8607 7.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0306 6.7212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8858 7.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2856 8.0640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2109 7.5299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8265 12.8246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3388 10.8565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8922 9.4339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3983 11.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3600 9.0522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1231 12.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1032 12.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3587 11.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6354 10.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6553 10.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9320 9.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7755 12.5330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2492 10.5685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6857 9.1357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1954 11.3578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2152 8.7431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4757 12.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4938 11.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2312 10.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9494 10.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9315 10.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6498 9.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 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 3 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 5 18 1 0 0 0 0 1 19 1 0 0 0 0 8 20 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 26 27 2 0 0 0 0 26 25 1 0 0 0 0 32 38 1 0 0 0 37 31 1 0 0 0 31 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 1 0 0 33 20 1 1 0 0 34 28 1 6 0 0 35 29 1 1 0 0 36 30 1 6 0 0 43 49 1 0 0 0 48 42 1 0 0 0 42 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 6 0 0 45 39 1 1 0 0 46 40 1 6 0 0 47 41 1 1 0 0 44 19 1 6 0 0 43 21 1 0 0 0 0 32 26 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010067 > 3,5-di-O-(beta-Glucopyranosyl) pelargonidin 6''-O-4, 6'''-O-1-cyclic malate > 3,5-[2-Hydroxy-1,4-dioxo-1,4-butanediylbis(oxymethylene)bis[[(3R)-tetrahydro-3alpha,4beta,5alpha-trihydroxy-2H-pyran]-6beta,2beta-diyloxy]]-2-(4-hydroxyphenyl)-7-hydroxy-1-benzopyrylium > C31H33O18 > 693.17 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > MDSZBCFPVUABGB-PVYCLFTASA-O > InChI=1S/C31H32O18/c32-12-3-1-11(2-4-12)28-18-7-14-16(45-28)5-13(33)6-17(14)46-30-26(40)25(39)23(37)20(49-30)10-44-29(42)15(34)8-21(35)43-9-19-22(36)24(38)27(41)31(47-18)48-19/h1-7,15,19-20,22-27,30-31,34,36-41H,8-10H2,(H-,32,33)/p+1/t15?,19-,20-,22-,23-,24+,25+,26-,27-,30-,31-/m1/s1 > C12O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(C(CC(OC[C@@H]4[C@@H](O)[C@H](O)[C@@H](O)[C@H](OC5C(C6C=CC(O)=CC=6)=[O+]C(=CC(O)=C1)C=2C=5)O4)=O)O)=O)O3 > - > - > - > - > - > - > 44256672 > - > - > - > - > - > 33090; 3570 > 11140528 $$$$