LMPK12010211 LIPID_MAPS_STRUCTURE_DATABASE 89 97 0 0 0 999 V2000 11.0005 18.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9024 19.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9024 20.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0005 20.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0989 20.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0989 19.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8043 18.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7062 19.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7062 20.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8043 20.7494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6601 20.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5134 20.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3664 20.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3664 21.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5134 22.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6601 21.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1268 22.2039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2568 20.7149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5782 18.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5134 23.2545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0659 16.9493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7890 15.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3139 15.3627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8270 15.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8269 14.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9932 14.1860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1655 14.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3379 14.1860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3377 13.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1654 12.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9930 13.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6560 12.8367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1655 11.8885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9664 13.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1180 13.8114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1755 12.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8967 11.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6639 11.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6938 10.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4339 9.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1439 9.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1140 9.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3739 10.2962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9330 8.2788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6618 8.7786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0005 17.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8076 15.6865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9443 14.8337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2795 16.0202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2337 17.8933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6327 17.4738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0716 17.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9751 16.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0407 15.8535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2084 16.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3049 17.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4725 18.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4291 17.9942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7849 15.9762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2172 14.6641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8969 17.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6475 14.4044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6827 17.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6453 17.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8223 16.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0385 15.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0759 16.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2920 15.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4204 20.0538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2023 21.0656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9641 20.0288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1807 17.9924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2942 18.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3014 19.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1952 20.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0760 19.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0687 18.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9496 17.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8354 10.7014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6423 8.6614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7824 7.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1373 10.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2000 7.9795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0705 10.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9054 10.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8072 9.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8773 8.8307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0425 9.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1125 8.9999 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 6 1 1 0 0 0 0 2 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 3 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 5 18 1 0 0 0 0 8 19 1 0 0 0 0 15 20 1 0 0 0 0 21 22 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 30 33 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 38 1 0 0 0 0 41 44 1 0 0 0 0 42 45 1 0 0 0 0 1 46 1 0 0 0 0 51 57 1 0 0 0 56 50 1 0 0 0 50 52 1 0 0 0 52 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 1 0 0 52 46 1 1 0 0 53 47 1 6 0 0 54 48 1 1 0 0 55 49 1 6 0 0 62 68 1 0 0 0 67 61 1 0 0 0 61 63 1 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 65 66 1 0 0 0 66 67 1 0 0 0 67 68 1 1 0 0 64 58 1 6 0 0 65 59 1 1 0 0 66 60 1 6 0 0 77 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 0 0 0 77 78 1 1 0 0 73 58 1 1 0 0 74 69 1 6 0 0 75 70 1 1 0 0 76 71 1 6 0 0 62 34 1 0 0 0 0 78 21 1 0 0 0 83 89 1 0 0 0 88 82 1 0 0 0 82 84 1 0 0 0 84 85 1 0 0 0 85 86 1 0 0 0 86 87 1 0 0 0 87 88 1 0 0 0 88 89 1 1 0 0 84 33 1 1 0 0 85 79 1 6 0 0 86 80 1 1 0 0 87 81 1 6 0 0 63 19 1 1 0 0 M CHG 1 10 1 M END > LMPK12010211 > Cyanidin 3-O-[2-O-(6-O-(trans-3-O-(beta-D-glucopyranosyl)caffeyl)-beta-D-glucopyranosyl)-6-O-(trans-caffeyl)-beta-D-glucopyranoside]-5-O-[beta-D-glucopyranoside] > 3',4',5,7-Tetrahydroxy-3-[[2-O-[6-O-[4-[6-O-[4-hydroxy-3-(beta-D-glucopyranosyloxy)cinnamoyl]-beta-D-glucopyranosyloxy]-3-hydroxycinnamoyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]anthocyanidin > C57H63O32 > 1259.33 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > KRHKFNLZGHDXCP-JYHYGDQASA-O > InChI=1S/C57H62O32/c58-17-35-41(68)45(72)49(76)54(85-35)82-32-15-24(60)14-31-25(32)16-34(52(81-31)23-5-8-27(62)30(65)13-23)84-57-53(48(75)44(71)38(88-57)20-80-39(66)9-3-21-1-6-26(61)29(64)11-21)89-56-51(78)47(74)43(70)37(87-56)19-79-40(67)10-4-22-2-7-28(63)33(12-22)83-55-50(77)46(73)42(69)36(18-59)86-55/h1-16,35-38,41-51,53-59,68-78H,17-20H2,(H5-,60,61,62,63,64,65,66,67)/p+1/t35-,36-,37-,38-,41-,42-,43-,44-,45+,46+,47+,48+,49-,50-,51-,53-,54-,55-,56+,57-/m1/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C=C(O)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)[C@@H](COC(/C=C/C5C=C(O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O6)C(O)=CC=5)=O)O4)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C4C=C(O)C(O)=CC=4)=O)O3)=CC=12 > - > - > - > - > - > - > 44256816 > - > - > - > - > - > 33090; 4121 > - $$$$