LMPK12010357 LIPID_MAPS_STRUCTURE_DATABASE 40 43 0 0 0 999 V2000 7.5665 12.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5665 11.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4764 10.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3863 11.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3863 12.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4764 13.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2963 10.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2063 11.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2063 12.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2963 13.0673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1159 13.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0434 12.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9708 13.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9708 14.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0434 14.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1159 14.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6568 13.0672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8223 14.6297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4764 9.9156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8022 10.9397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0666 6.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8480 5.5698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5053 7.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8979 12.5319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4187 7.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0434 15.4402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2159 6.3806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8954 7.6612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8559 15.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 10.2497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9866 8.2983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4635 7.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2045 9.3331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9456 6.8016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9680 9.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8952 9.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0593 8.6431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2977 8.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3705 8.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6089 7.7317 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 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 25 1 0 0 0 0 13 24 1 0 0 0 0 15 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 2 0 0 0 0 26 29 1 0 0 0 0 34 40 1 0 0 0 39 33 1 0 0 0 33 35 1 0 0 0 35 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 1 0 0 35 20 1 1 0 0 36 30 1 6 0 0 37 31 1 1 0 0 38 32 1 6 0 0 34 21 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010357 > Petunidin 3-(6''-malonylglucoside) > 3-[[6-O-(1,3-Dioxo-3-hydroxypropyl)-beta-D-glucopyranosyl]oxy]-5'-methoxy-3',4',5,7-tetrahydroxyflavylium > C25H25O15 > 565.12 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > IAXXCVQRJLGMLV-XIRKIXBGSA-O > InChI=1S/C25H24O15/c1-36-15-3-9(2-13(28)20(15)32)24-16(6-11-12(27)4-10(26)5-14(11)38-24)39-25-23(35)22(34)21(33)17(40-25)8-37-19(31)7-18(29)30/h2-6,17,21-23,25,33-35H,7-8H2,1H3,(H4-,26,27,28,29,30,32)/p+1/t17-,21-,22+,23-,25-/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](COC(CC(=O)O)=O)O3)=CC=2C(O)=C1 > - > - > - > - > - > - > 14311162 > - > - > - > - > - > 33090; 106335 > - $$$$