LMPK12140107 LIPID_MAPS_STRUCTURE_DATABASE 42 46 0 0 0 999 V2000 14.5948 7.7493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4718 7.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3490 7.7493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3490 8.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4718 9.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5948 8.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2261 7.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1030 7.7493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1030 8.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2261 9.2684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9794 9.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2261 6.3607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8794 8.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7791 9.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7791 10.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8794 10.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9794 10.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4718 6.4609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7184 9.2679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1873 10.7643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5277 8.8359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6718 7.2531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9383 6.2523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2100 7.2529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9382 9.2545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4473 8.6071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8077 8.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8077 7.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9382 7.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0742 7.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0742 8.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2100 9.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9155 6.6776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9783 6.1734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5781 7.5972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7758 9.0677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4812 8.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2155 7.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2440 7.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5440 7.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8099 8.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1097 9.5266 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 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 4 1 0 0 0 0 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 11 1 0 0 0 0 2 18 1 0 0 0 0 6 19 1 0 0 0 0 17 20 1 0 0 0 0 14 21 1 0 0 0 0 26 32 1 0 0 0 31 25 1 0 0 0 25 27 1 0 0 0 27 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 1 0 0 28 22 1 6 0 0 29 23 1 1 0 0 30 24 1 6 0 0 41 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 6 0 0 37 26 1 1 0 0 38 33 1 6 0 0 39 34 1 6 0 0 40 35 1 1 0 0 27 19 1 1 0 0 M END > LMPK12140107 > > 5,7,2',5'-Tetrahydroxyflavanone 7-O-rutinoside > C27H32O15 > 596.17 > Polyketides [PK] > Flavonoids [PK12] > Flavanones [PK1214] > - > > WGQQLWYEBJNTFC-GDRLQRQZSA-N > InChI=1S/C27H32O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)12-4-10(28)2-3-13(12)29/h2-6,9,16,18,20-30,32-37H,7-8H2,1H3/t9-,16?,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1 > C1C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)O2)=CC2OC(C3C(O)=CC=C(O)C=3)CC(=O)C=2C=1O > - > - > - > - > - > - > 42607842 > - > - > - > - > - > 33090 > - $$$$