LMPK12010129 LIPID_MAPS_STRUCTURE_DATABASE 53 58 0 0 0 999 V2000 7.5643 11.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5642 10.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4213 9.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2784 10.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2784 11.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4213 11.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1352 9.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9923 10.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9923 11.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1353 11.5905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8490 11.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7226 11.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5961 11.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5961 12.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7225 13.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8489 12.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4212 8.6222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7226 14.1117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0439 9.5142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7075 11.5904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4693 13.1031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6825 10.6634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4898 9.8204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6609 7.8384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0398 8.1049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1669 6.1916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9513 9.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7679 9.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6733 9.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7586 8.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9420 7.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0275 6.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3115 4.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3236 4.2309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1962 5.8700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6068 6.9327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1754 6.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7477 5.2101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7513 5.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1876 5.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6154 6.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0516 7.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7366 16.1055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4708 17.0903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1854 16.0812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4497 14.0994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9359 14.7268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5869 14.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5940 15.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4639 16.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3211 15.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3140 14.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1714 14.0874 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 3 17 1 0 0 0 0 15 18 1 0 0 0 0 19 8 1 0 0 0 0 1 20 1 0 0 0 0 14 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 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 41 42 1 6 0 0 37 26 1 1 0 0 38 33 1 6 0 0 39 34 1 6 0 0 40 35 1 1 0 0 27 19 1 1 0 0 47 53 1 0 0 0 52 46 1 0 0 0 46 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 1 0 0 48 18 1 1 0 0 49 43 1 6 0 0 50 44 1 1 0 0 51 45 1 6 0 0 M CHG 1 10 1 M END > LMPK12010129 > Cyanidin 3-rutinoside-3'-glucoside > 3,5,7,3',4'-Pentahydroxyflavylium 3-rutinoside-3'-glucoside > C33H41O20 > 757.22 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > SPUXGEXEKQUUMW-HWKLKBEVSA-O > InChI=1S/C33H40O20/c1-10-21(38)24(41)27(44)31(48-10)47-9-20-23(40)26(43)29(46)33(53-20)51-18-7-13-15(37)5-12(35)6-16(13)49-30(18)11-2-3-14(36)17(4-11)50-32-28(45)25(42)22(39)19(8-34)52-32/h2-7,10,19-29,31-34,38-46H,8-9H2,1H3,(H2-,35,36,37)/p+1/t10-,19+,20+,21-,22+,23+,24+,25-,26-,27+,28+,29+,31+,32+,33+/m0/s1 > C1(O)=CC2[O+]=C(C3C=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)C(O)=CC=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](C)O4)O3)=CC=2C(O)=C1 > - > - > - > - > - > - > 178335801 > - > - > - > - > - > 33090; 4613 > - $$$$