LMPK12010081 LIPID_MAPS_STRUCTURE_DATABASE 52 57 0 0 0 999 V2000 11.5002 13.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5002 12.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3862 11.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2723 12.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2723 13.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3862 13.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1584 11.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0443 12.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0443 13.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1584 13.9229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0074 13.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8934 13.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7794 13.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7794 14.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8934 15.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0074 14.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5734 15.4489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7810 13.8266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3862 10.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0059 11.7421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1111 11.8736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5846 10.6111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 11.3025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0892 13.5407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7653 12.4981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0203 13.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1854 12.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4194 11.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4938 11.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3287 12.9097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4030 13.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0139 10.0098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0233 8.2943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0469 8.2967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5376 10.8673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7231 9.0799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5305 10.8687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0257 10.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5281 9.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5400 9.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0449 10.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0566 10.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9854 7.5536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2946 5.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3456 5.3700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4009 7.9864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3797 8.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0109 7.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6634 6.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6889 6.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0578 7.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0831 6.8962 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 14 17 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 8 20 1 0 0 0 0 25 31 1 0 0 0 30 24 1 0 0 0 24 26 1 0 0 0 26 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 1 0 0 26 18 1 1 0 0 27 21 1 6 0 0 28 22 1 1 0 0 29 23 1 6 0 0 36 42 1 0 0 0 41 35 1 0 0 0 35 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 1 0 0 38 32 1 6 0 0 39 33 1 1 0 0 40 34 1 6 0 0 51 46 1 0 0 0 46 47 1 0 0 0 47 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 6 0 0 47 36 1 1 0 0 48 43 1 6 0 0 49 44 1 6 0 0 50 45 1 1 0 0 37 20 1 1 0 0 M CHG 1 10 1 M END > LMPK12010081 > Pelargonidin 3-rutinoside-7-glucoside > 3,5,7,4'-Tetrahydroxyflavylium 3-rhamnosyl-(1->6)-glucoside-7-glucoside > C33H41O19 > 741.22 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > YLDCMQANDYWCRU-WYHZMSGGSA-O > InChI=1S/C33H40O19/c1-11-21(37)24(40)27(43)31(47-11)46-10-20-23(39)26(42)29(45)33(52-20)50-18-8-15-16(36)6-14(48-32-28(44)25(41)22(38)19(9-34)51-32)7-17(15)49-30(18)12-2-4-13(35)5-3-12/h2-8,11,19-29,31-34,37-45H,9-10H2,1H3,(H-,35,36)/p+1/t11-,19+,20+,21-,22+,23+,24+,25-,26-,27+,28+,29+,31+,32+,33+/m0/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2[O+]=C(C3C=CC(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 > - > - > - > - > - > - > 100914221 > - > - > - > - > - > 33090; 46246 > - $$$$