LMPK12010181 LIPID_MAPS_STRUCTURE_DATABASE 78 85 0 0 0 999 V2000 7.9233 -8.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9233 -9.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7974 -9.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6715 -9.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6715 -8.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7974 -7.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5457 -9.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4198 -9.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4198 -8.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5457 -7.9389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2937 -7.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1845 -8.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0754 -7.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0754 -6.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1845 -6.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2937 -6.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0494 -7.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9661 -6.3962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7974 -10.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1981 -10.2235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1845 -5.3676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1556 -10.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0992 -11.0477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1556 -9.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8342 -9.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8342 -8.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7158 -7.5288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7158 -6.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8342 -6.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9526 -6.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9526 -7.5288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8342 -4.9841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7832 -12.9681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0426 -13.9565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3215 -12.9437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0637 -10.9545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5682 -11.5841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9297 -11.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9226 -12.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0495 -12.9559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1891 -12.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 -11.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3357 -10.9423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3074 -10.9475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1121 -12.1365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7415 -13.0769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3657 -12.1365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7417 -10.2554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9242 -10.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9243 -11.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7416 -12.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5536 -11.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5537 -10.7258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3658 -10.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2986 -12.6361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8247 -14.4567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1629 -15.7729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5450 -13.7073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5804 -16.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8745 -13.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9677 -13.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7315 -14.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4006 -14.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3073 -14.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9764 -15.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5818 -6.0107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1867 -6.1205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3786 -5.2615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2211 -3.2707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8499 -3.5569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9027 -1.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9317 -4.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1080 -5.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2022 -4.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1236 -3.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9473 -3.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8686 -2.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4478 -6.5107 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 15 21 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 29 32 1 0 0 0 0 37 43 1 0 0 0 42 36 1 0 0 0 36 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 0 0 0 42 43 1 1 0 0 38 19 1 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 41 35 1 6 0 0 53 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 0 0 0 53 54 1 6 0 0 50 45 1 1 0 0 51 46 1 6 0 0 52 47 1 1 0 0 59 65 1 0 0 0 64 58 1 0 0 0 58 60 1 0 0 0 60 61 1 0 0 0 61 62 1 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 64 65 1 6 0 0 60 45 1 6 0 0 61 55 1 1 0 0 62 56 1 6 0 0 63 57 1 1 0 0 44 54 1 0 0 0 49 20 1 6 0 0 22 44 1 0 0 0 0 28 66 1 0 0 0 71 77 1 0 0 0 76 70 1 0 0 0 70 72 1 0 0 0 72 73 1 0 0 0 73 74 1 0 0 0 74 75 1 0 0 0 75 76 1 0 0 0 76 77 1 1 0 0 72 32 1 1 0 0 73 67 1 6 0 0 74 68 1 1 0 0 75 69 1 6 0 0 66 78 1 0 0 0 M CHG 1 10 1 M END > LMPK12010181 > > Cyanidin 3-[6''-(4-glucosylferulyl)-sophoroside]-5-glucoside > C49H59O29 > 1111.31 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > DYGVXLHJKPMICV-PWGRQOAASA-O > InChI=1S/C49H58O29/c1-68-26-8-17(2-6-23(26)71-46-41(65)37(61)33(57)28(13-50)74-46)3-7-32(56)69-16-31-36(60)40(64)45(78-48-43(67)39(63)35(59)30(15-52)76-48)49(77-31)73-27-12-20-24(70-44(27)18-4-5-21(54)22(55)9-18)10-19(53)11-25(20)72-47-42(66)38(62)34(58)29(14-51)75-47/h2-12,28-31,33-43,45-52,57-67H,13-16H2,1H3,(H2-,53,54,55)/p+1/b7-3+/t28-,29-,30-,31-,33-,34-,35-,36-,37+,38+,39+,40+,41-,42-,43-,45-,46-,47-,48+,49-/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[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)=C(OC)C=4)=O)O3)=CC=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C1 > - > - > - > - > - > - > 178335818 > - > - > - > - > - > 33090 > - $$$$