LMPK12010353 LIPID_MAPS_STRUCTURE_DATABASE 56 61 0 0 0 999 V2000 7.3565 12.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3565 11.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2799 11.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2032 11.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2032 12.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2799 13.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1267 11.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0498 11.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0498 12.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1267 13.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9730 13.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9142 12.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8551 13.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8551 14.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9142 14.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9730 14.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4333 13.3254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7878 14.8936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2799 10.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7961 12.7822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1226 11.0649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9333 15.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7672 16.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9663 10.5568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4482 8.7058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0877 7.3678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6825 9.4678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3642 10.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2860 9.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5263 8.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8461 8.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9242 8.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2440 7.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3038 8.0464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6369 6.2540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7510 5.9353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5365 7.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7511 8.6240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3045 8.8742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3632 7.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0298 6.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0843 6.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4772 7.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8106 8.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2034 9.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0649 7.4179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1836 7.7635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5460 9.5620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 9.9481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8296 11.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3659 9.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7460 8.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8033 8.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4846 9.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1044 10.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7856 11.0183 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 13 20 1 0 0 0 0 21 8 1 0 0 0 0 15 22 1 0 0 0 0 22 23 1 0 0 0 0 32 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 0 0 0 32 33 1 1 0 0 28 21 1 1 0 0 29 24 1 6 0 0 30 25 1 1 0 0 31 26 1 6 0 0 33 34 1 0 0 0 39 45 1 0 0 0 44 38 1 0 0 0 38 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 1 0 0 40 34 1 1 0 0 41 35 1 6 0 0 42 36 1 1 0 0 43 37 1 6 0 0 50 56 1 0 0 0 55 49 1 0 0 0 49 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 1 0 0 51 39 1 1 0 0 52 46 1 6 0 0 53 47 1 1 0 0 54 48 1 6 0 0 M CHG 1 10 1 M END > LMPK12010353 > Petunidin 3-gentiotrioside > 3,5,7,3',4'-Pentahydroxy-5'-methoxyflavylium 3-gentiotrioside > C34H43O22 > 803.22 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > KBVVCTUMEKXAJL-MISFFBJPSA-O > InChI=1S/C34H42O22/c1-49-16-3-10(2-14(38)21(16)39)31-17(6-12-13(37)4-11(36)5-15(12)52-31)53-34-30(48)27(45)24(42)20(56-34)9-51-33-29(47)26(44)23(41)19(55-33)8-50-32-28(46)25(43)22(40)18(7-35)54-32/h2-6,18-20,22-30,32-35,40-48H,7-9H2,1H3,(H3-,36,37,38,39)/p+1/t18-,19-,20-,22-,23-,24-,25+,26+,27+,28-,29-,30-,32-,33-,34-/m1/s1 > C1(O)=CC2[O+]=C(C3C=C(OC)C(O)=C(O)C=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)O4)O3)=CC=2C(O)=C1 > - > - > - > - > - > - > 44256958 > - > - > - > - > - > 33090; 49647 > - $$$$