LMPK12010039 LIPID_MAPS_STRUCTURE_DATABASE 48 52 0 0 0 999 V2000 10.9363 10.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9363 9.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8371 8.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7380 9.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7380 10.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8371 11.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6391 8.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5399 9.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5399 10.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6391 11.0473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4404 11.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3588 10.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2768 11.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2768 12.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3588 12.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4404 12.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0355 11.0471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1947 12.6374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8371 7.9269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3221 8.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7198 9.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9027 10.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0960 9.6735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0934 11.4978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4576 11.1305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0934 12.1021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3146 8.6596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1476 6.8395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9886 5.2132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1588 7.1222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5686 4.5813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7389 7.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7350 7.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1514 6.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5719 6.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5757 6.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9961 5.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6486 5.9344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8284 5.1014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2022 6.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1111 8.0903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9297 7.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8354 6.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9226 6.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1096 6.6772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2039 7.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3907 8.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3957 9.2529 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 1 0 0 0 0 22 24 1 0 0 0 0 21 23 2 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 31 37 1 0 0 0 36 30 1 0 0 0 30 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 0 0 0 36 37 1 1 0 0 32 20 1 1 0 0 33 27 1 6 0 0 34 28 1 1 0 0 35 29 1 6 0 0 46 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 0 0 0 46 47 1 1 0 0 42 19 1 1 0 0 43 38 1 6 0 0 44 39 1 1 0 0 45 40 1 6 0 0 47 48 1 0 0 0 48 21 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010039 > > Pelargonidin 3-glucoside-5-(6'''-malonylglucoside) > C30H33O18 > 681.17 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > XAUWJGQEHRUDEM-IEKHAQANSA-O > InChI=1S/C30H32O18/c31-9-18-22(37)24(39)26(41)30(47-18)46-17-7-14-15(44-28(17)11-1-3-12(32)4-2-11)5-13(33)6-16(14)45-29-27(42)25(40)23(38)19(48-29)10-43-21(36)8-20(34)35/h1-7,18-19,22-27,29-31,37-42H,8-10H2,(H2-,32,33,34,35)/p+1/t18-,19-,22-,23-,24+,25+,26-,27-,29-,30-/m1/s1 > C1(O)=CC2[O+]=C(C3C=CC(O)=CC=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)CC(=O)O)O2)=C1 > - > - > - > - > - > - > 101930173 > - > - > - > - > - > 33090 > - $$$$