LMPK12111964 LIPID_MAPS_STRUCTURE_DATABASE 61 66 0 0 0 999 V2000 14.5802 14.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5802 13.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4892 13.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3981 13.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3981 14.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4892 15.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6713 13.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7624 13.5847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8534 13.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8534 12.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7624 11.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6713 12.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9446 13.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0357 13.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0357 12.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9446 11.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7624 10.5718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0778 13.4762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5334 11.4572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1622 15.0753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9446 10.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4677 9.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6505 9.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2050 8.7824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1770 10.3598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6745 11.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9965 8.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5277 8.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6329 8.7459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4954 10.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8429 8.8425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3115 7.5608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0217 9.8692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7781 7.3071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7893 10.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7296 10.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9025 9.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1368 8.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1966 8.8861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4308 8.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5948 11.6134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1794 10.1981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2511 10.7173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4022 13.0979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1637 11.8279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3717 12.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6307 11.8731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9203 11.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9562 11.4243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6972 12.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 12.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7927 12.3378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7614 11.9762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4288 10.0940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8155 9.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4777 10.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1263 11.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1129 11.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4465 10.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7978 9.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1315 8.5700 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 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 5 20 1 0 0 0 0 16 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 22 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 34 40 1 0 0 0 39 33 1 0 0 0 33 35 1 0 0 0 35 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 1 0 0 36 30 1 6 0 0 37 31 1 1 0 0 38 32 1 6 0 0 45 51 1 0 0 0 50 44 1 0 0 0 44 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 1 0 0 47 41 1 6 0 0 48 42 1 1 0 0 49 43 1 6 0 0 60 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 59 60 1 0 0 0 60 61 1 6 0 0 56 30 1 1 0 0 57 52 1 6 0 0 58 53 1 6 0 0 59 54 1 1 0 0 35 19 1 1 0 0 46 18 1 1 0 0 45 26 1 0 0 0 0 M END > LMPK12111964 > Kaempferol 3-neohesperidoside-7-(6''-malonylglucoside) > > C37H44O24 > 872.22 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > GFYBKTBIGUBCIT-ZKZVDPFISA-N > InChI=1S/C37H44O24/c1-12-23(44)27(48)30(51)35(55-12)61-34-29(50)24(45)18(9-38)58-37(34)60-33-26(47)22-16(40)6-15(7-17(22)57-32(33)13-2-4-14(39)5-3-13)56-36-31(52)28(49)25(46)19(59-36)10-53-11-54-21(43)8-20(41)42/h2-7,12,18-19,23-25,27-31,34-40,44-46,48-52H,8-11H2,1H3,(H,41,42)/t12-,18+,19+,23-,24+,25+,27+,28-,29-,30+,31+,34+,35-,36+,37-/m0/s1 > C1C=C(O)C=CC=1C1=C(O[C@H]2[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)C(=O)C2C(O)=CC(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COCOC(=O)CC(=O)O)O3)=CC=2O1 > - > - > - > - > - > - > 44259034 > - > - > - > - > - > 33090 > - $$$$