LMPK12010150 LIPID_MAPS_STRUCTURE_DATABASE 50 54 0 0 0 999 V2000 7.5850 12.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5850 11.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4774 10.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3695 11.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3695 12.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4774 12.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2618 10.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1539 11.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1539 12.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2618 12.8666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0459 12.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9553 12.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8647 12.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8647 13.9165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9553 14.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0459 13.9165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6932 12.8664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7738 14.4413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4774 9.7761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1267 10.7380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9553 15.3286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7351 9.4906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3896 7.5310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5232 6.8543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1031 9.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0043 7.1386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0399 9.7918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8019 9.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6274 8.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6943 7.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9321 8.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9989 8.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0250 11.0058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9821 10.6462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6456 8.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0476 8.3735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3505 7.2584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7118 9.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3566 10.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3374 9.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6690 8.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0242 8.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3559 7.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7816 6.4485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9906 6.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4883 7.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5866 6.1124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3811 7.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0636 6.9186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9946 8.1516 0.0000 O 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 26 32 1 0 0 0 31 25 1 0 0 0 25 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 1 0 0 28 22 1 6 0 0 29 23 1 1 0 0 30 24 1 6 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 22 1 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 41 35 1 6 0 0 43 44 2 0 0 0 45 46 1 0 0 0 0 45 47 2 0 0 0 0 46 48 1 0 0 0 0 48 49 1 0 0 0 0 48 50 2 0 0 0 0 45 26 1 0 0 0 0 27 20 1 1 0 0 M CHG 1 10 1 M END > LMPK12010150 > Cyanidin 3-(6''-malonyl-2''-glucuronosylglucoside) > 3,5,7,3',4'-Pentahydroxyflavylium 3-(6"-malonyl-2"-glucuronosylglucoside) > C30H31O20 > 711.14 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > QOHDMYMGZLODBT-HMYIHKNWSA-O > InChI=1S/C30H30O20/c31-10-4-13(33)11-6-16(25(46-15(11)5-10)9-1-2-12(32)14(34)3-9)47-30-27(50-29-24(42)21(39)23(41)26(49-29)28(43)44)22(40)20(38)17(48-30)8-45-19(37)7-18(35)36/h1-6,17,20-24,26-27,29-30,38-42H,7-8H2,(H5-,31,32,33,34,35,36,43,44)/p+1/t17-,20-,21+,22+,23+,24-,26+,27-,29+,30-/m1/s1 > C1(O)=CC2[O+]=C(C3C=C(O)C(O)=CC=3)C(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O4)[C@@H](O)[C@H](O)[C@@H](COC(=O)CC(=O)O)O3)=CC=2C(O)=C1 > C16373 > - > 80479 > - > - > - > 23724737 > - > - > - > - > - > 33090; 41492 > - $$$$