LMPK12010038 LIPID_MAPS_STRUCTURE_DATABASE 48 52 0 0 0 999 V2000 10.1490 11.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1490 10.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0131 9.9108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8772 10.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8772 11.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0131 11.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7412 9.9108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6053 10.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6053 11.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7412 11.9062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4690 11.9061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3496 11.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2303 11.9061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2303 12.9231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3496 13.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4690 12.9231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2852 11.9061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1106 13.4312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0131 8.9135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2517 9.2902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8416 6.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7296 7.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6876 6.9032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5464 7.3990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8416 6.0578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6876 5.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9992 6.9498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2914 5.9801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6028 6.9738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3121 8.9255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8638 8.3077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1619 8.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1549 7.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2983 6.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4541 7.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4610 8.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6167 8.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3893 10.8908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3445 10.7056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1578 8.9230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6381 8.3047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9981 7.4065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2272 9.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7959 9.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7759 9.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1823 9.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6135 8.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0201 7.3226 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 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 21 25 2 0 0 0 0 23 26 1 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 19 1 1 0 0 33 27 1 6 0 0 34 28 1 1 0 0 35 29 1 6 0 0 42 48 1 0 0 0 47 41 1 0 0 0 41 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 0 0 0 47 48 1 1 0 0 43 20 1 1 0 0 44 38 1 6 0 0 45 39 1 1 0 0 46 40 1 6 0 0 42 21 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010038 > > Pelargonidin 3-(6''-malonylglucoside)-5-glucoside > C30H33O18 > 681.17 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > BISLCTUMMICQQR-IEKHAQANSA-O > InChI=1S/C30H32O18/c31-9-18-22(37)24(39)26(41)29(47-18)45-16-6-13(33)5-15-14(16)7-17(28(44-15)11-1-3-12(32)4-2-11)46-30-27(42)25(40)23(38)19(48-30)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](COC(=O)CC(O)=O)O3)=CC=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C1 > - > - > - > - > - > - > 101698685 > - > - > - > - > - > 33090; 101596 > - $$$$