LMPK12010398 LIPID_MAPS_STRUCTURE_DATABASE 62 67 0 0 0 999 V2000 11.4379 0.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3399 1.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3399 2.4355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4379 2.9562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5359 2.4355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5359 1.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2418 0.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1439 1.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1439 2.4355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2418 2.9562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0032 2.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8654 2.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7276 2.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7276 3.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8654 4.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0032 3.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6231 4.4443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7980 2.8616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4379 0.1906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1434 0.8480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8872 5.2372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5960 5.9459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6670 2.5068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5107 2.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5777 -1.6135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1831 0.4734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8785 -1.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5352 -3.0545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8188 -0.9189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0124 -3.5786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4916 -0.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5113 -0.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8587 -1.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1871 -2.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1673 -1.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4955 -2.6799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8755 -5.4642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6738 -7.1547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6140 -6.9572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3790 -4.3262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4141 -4.4227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8456 -5.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2421 -6.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2124 -6.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7808 -5.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7510 -5.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9604 -1.8164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4834 -3.2724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4892 -2.7203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6994 -0.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7020 -0.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9633 -1.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2220 -2.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2250 -1.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9638 -0.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 -0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8189 -6.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8189 -5.7349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0723 -6.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4138 -6.5596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8033 -6.9120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4138 -5.7332 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 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 1 19 1 0 0 0 0 8 20 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 13 23 1 0 0 0 0 23 24 1 0 0 0 0 30 36 1 0 0 0 35 29 1 0 0 0 29 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 1 0 0 31 20 1 1 0 0 32 26 1 6 0 0 33 27 1 1 0 0 34 28 1 6 0 0 45 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 6 0 0 41 30 1 1 0 0 42 37 1 6 0 0 43 38 1 6 0 0 44 39 1 1 0 0 55 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 0 0 0 54 55 1 0 0 0 55 56 1 1 0 0 51 19 1 1 0 0 52 47 1 6 0 0 53 48 1 1 0 0 54 49 1 6 0 0 25 56 1 0 0 0 57 58 2 0 0 0 0 57 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 62 2 0 0 0 0 39 57 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010398 > Malvidin 3-O-(6-O-(4-O-malonyl-alpha-rhamnopyranosyl)-beta-glucopyranoside)-5-O-beta-glucopyranoside > 2-(4-Hydroxy-3,5-dimethoxyphenyl)-3-[[6-O-[ 4-O-(carboxyacetyl)-alpha-L-rhamnopyranosyl]-beta-D-glucopyranosyl]oxy]-5-(beta-D-glucopyranosyloxy)-7-hydroxy-1-benzopyrylium > C38H47O24 > 887.25 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > HVQCUCVOZXRGOG-ZFCVOABISA-O > InChI=1S/C38H46O24/c1-12-34(62-24(43)9-23(41)42)30(49)33(52)36(56-12)55-11-22-27(46)29(48)32(51)38(61-22)59-20-8-15-16(57-35(20)13-4-18(53-2)25(44)19(5-13)54-3)6-14(40)7-17(15)58-37-31(50)28(47)26(45)21(10-39)60-37/h4-8,12,21-22,26-34,36-39,45-52H,9-11H2,1-3H3,(H2-,40,41,42,44)/p+1/t12-,21+,22+,26+,27+,28-,29-,30-,31+,32+,33+,34-,36+,37+,38+/m0/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC(O)=CC2[O+]=C(C3C=C(OC)C(O)=C(OC)C=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](OC(CC(=O)O)=O)[C@H](C)O4)O3)=CC1=2 > - > - > - > - > - > - > 101740986 > - > - > - > - > - > 33090; 519208 > - $$$$