LMPK12010248 LIPID_MAPS_STRUCTURE_DATABASE 47 51 0 0 0 999 V2000 9.3405 10.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3405 9.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2556 9.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1707 9.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1707 10.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2556 11.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0860 9.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0009 9.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0009 10.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0860 11.4246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9157 11.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8485 10.8861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7812 11.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7812 12.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8485 13.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9157 12.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4259 11.4245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6001 13.0317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2556 8.2551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9265 9.2581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8429 13.8257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5572 14.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7964 9.7450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1531 8.3687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6386 6.5107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3482 7.6384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5590 5.4686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6042 8.5725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5391 8.8159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2183 8.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9610 7.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0260 6.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7688 6.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2419 6.3230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5614 5.3686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8998 6.3464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5819 8.2670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1727 7.6590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4180 7.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4111 6.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5682 6.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7375 6.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7444 7.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9135 8.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4732 4.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2632 3.9518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5976 4.1003 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 21 22 1 0 0 0 0 27 33 1 0 0 0 32 26 1 0 0 0 26 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 1 0 0 28 20 1 1 0 0 29 23 1 6 0 0 30 24 1 1 0 0 31 25 1 6 0 0 38 44 1 0 0 0 43 37 1 0 0 0 37 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 0 0 0 43 44 1 1 0 0 39 19 1 1 0 0 40 34 1 6 0 0 41 35 1 1 0 0 42 36 1 6 0 0 27 45 1 0 0 0 45 46 2 0 0 0 45 47 1 0 0 0 M CHG 1 10 1 M END > LMPK12010248 > > Peonidin acetyl 3,5-diglucoside > C30H35O17 > 667.19 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > KOJLDSZARRTMAS-FYBHVKCMSA-O > InChI=1S/C30H34O17/c1-11(32)42-10-21-23(36)25(38)27(40)30(47-21)45-19-8-14-16(43-28(19)12-3-4-15(34)18(5-12)41-2)6-13(33)7-17(14)44-29-26(39)24(37)22(35)20(9-31)46-29/h3-8,20-27,29-31,35-40H,9-10H2,1-2H3,(H-,33,34)/p+1/t20-,21-,22-,23-,24+,25+,26-,27-,29-,30-/m1/s1 > C1(O)=CC2[O+]=C(C3C=C(OC)C(O)=CC=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O3)=CC=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C1 > - > - > - > - > - > - > 44256853 > - > - > - > - > - > 33090; 3603 > - $$$$