LMPK12010212 LIPID_MAPS_STRUCTURE_DATABASE 58 63 0 0 0 999 V2000 10.9785 -6.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9785 -7.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8296 -8.1781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6791 -7.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6791 -6.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8296 -6.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5300 -8.1781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3797 -7.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3797 -6.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5300 -6.2121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2321 -6.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0848 -6.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9359 -6.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9359 -5.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0848 -4.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2321 -5.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1260 -6.2121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2321 -8.1781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0848 -3.7540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7884 -4.7379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8296 -9.1654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6552 -9.6217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1167 -11.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1584 -12.0836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9815 -9.4110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6452 -11.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9646 -9.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6762 -9.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4050 -10.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4259 -11.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7144 -10.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7352 -10.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3240 -8.4706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1555 -9.3407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3150 -11.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6522 -11.0672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5695 -10.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4038 -9.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3212 -9.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4008 -10.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5664 -11.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1010 -14.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1170 -14.1983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5928 -13.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1010 -12.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1170 -12.4929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5777 -15.0859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1118 -8.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3712 -9.2019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6501 -8.1890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3924 -6.1998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8969 -6.8295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2584 -6.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2513 -7.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3782 -8.2013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5178 -7.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5249 -6.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6643 -6.1877 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 1 6 1 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 5 10 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 11 16 1 0 0 0 0 1 17 1 0 0 0 0 8 18 1 0 0 0 0 15 19 1 0 0 0 0 14 20 1 0 0 0 0 3 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 27 18 1 1 0 0 28 22 1 6 0 0 29 23 1 1 0 0 30 24 1 6 0 0 41 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 0 0 0 37 22 1 1 0 0 38 33 1 6 0 0 39 34 1 1 0 0 40 35 1 6 0 0 42 43 2 0 0 0 42 44 1 0 0 0 44 45 1 0 0 0 45 46 2 0 0 0 47 42 1 0 0 0 45 26 1 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 53 17 1 1 0 0 54 48 1 6 0 0 55 49 1 1 0 0 56 50 1 6 0 0 M CHG 1 10 1 M END > LMPK12010212 > > Cyanidin 3-O-[(6-O-malonyl-2-O-beta-D-xylopyranosyl)-beta-D-glucopyranoside]-7-O-beta-D-glucopyranoside > C35H41O23 > 829.20 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > LIHFAKVUZYFNPM-HYTDUMOMSA-O > InChI=1S/C35H40O23/c36-8-20-25(45)27(47)30(50)34(56-20)53-12-4-15(38)13-6-19(31(54-18(13)5-12)11-1-2-14(37)16(39)3-11)55-35-32(58-33-29(49)24(44)17(40)9-52-33)28(48)26(46)21(57-35)10-51-23(43)7-22(41)42/h1-6,17,20-21,24-30,32-36,40,44-50H,7-10H2,(H3-,37,38,39,41,42)/p+1/t17-,20-,21-,24+,25-,26-,27+,28+,29-,30-,32-,33+,34-,35-/m1/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C=C2[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)CO4)[C@@H](O)[C@H](O)[C@@H](COC(=O)CC(O)=O)O3)=CC2=C(O)C=1 > - > - > - > - > - > - > 101093464 > - > - > - > - > - > 33090 > - $$$$