LMPK12010144 LIPID_MAPS_STRUCTURE_DATABASE 54 59 0 0 0 999 V2000 8.4493 16.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4493 15.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3104 15.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1715 15.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1715 16.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3104 17.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0327 15.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8938 15.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8938 16.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0327 17.1652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7546 17.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6324 16.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5101 17.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5101 18.1785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6324 18.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7546 18.1785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5886 17.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3874 18.6850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3104 14.1825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6543 15.0854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7733 11.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2676 10.7440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8161 11.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4329 10.6798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3815 10.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8763 11.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9010 11.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4311 10.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9363 9.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9116 9.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4576 10.6073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6324 19.6983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4664 14.3587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6302 12.4845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0915 11.4099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0729 13.6768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8446 14.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6969 13.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7779 12.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0084 12.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1561 12.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3867 12.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6857 15.7911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5360 15.4512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1633 13.6822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7071 13.3025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8843 12.2482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3897 14.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9993 14.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9265 14.7349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2400 13.8505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6304 13.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9440 12.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4587 12.5775 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 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 25 1 0 0 0 0 28 31 1 0 0 0 0 15 32 1 0 0 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 1 0 0 38 33 1 6 0 0 39 34 1 1 0 0 40 35 1 6 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 33 1 1 0 0 49 43 1 6 0 0 50 44 1 1 0 0 51 45 1 6 0 0 37 20 1 1 0 0 42 54 1 0 0 0 54 21 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010144 > > Cyanidin 3-(6''-p-coumarylsophoroside) > C36H37O18 > 757.20 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > DJXVKAPFACGRPO-GBRVJCKXSA-O > InChI=1S/C36H36O18/c37-13-25-28(44)30(46)32(48)35(52-25)54-34-31(47)29(45)26(14-49-27(43)8-3-15-1-5-17(38)6-2-15)53-36(34)51-24-12-19-21(41)10-18(39)11-23(19)50-33(24)16-4-7-20(40)22(42)9-16/h1-12,25-26,28-32,34-37,44-48H,13-14H2,(H4-,38,39,40,41,42,43)/p+1/t25-,26-,28-,29-,30+,31+,32-,34-,35+,36-/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](CO)O4)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C4C=CC(O)=CC=4)=O)O3)=CC=2C(O)=C1 > - > - > - > - > - > - > 44256749 > - > - > - > - > - > 33090 > - $$$$