LMPK12112353 LIPID_MAPS_STRUCTURE_DATABASE 55 60 0 0 0 999 V2000 10.7051 11.9343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7051 10.9347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5708 10.4349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4364 10.9347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4364 11.9343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5708 12.4342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3020 10.4349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1677 10.9347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1677 11.9343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3020 12.4342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3038 9.5010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0330 12.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9153 11.9245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7976 12.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7976 13.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9153 13.9621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0330 13.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8397 12.4339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0392 10.4280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5708 9.4358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6885 13.9743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9153 14.7720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6113 15.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6801 10.8026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6874 10.9913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8585 12.8081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4266 13.4383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8455 12.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2657 11.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2670 11.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8527 12.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4324 13.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0180 14.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8308 9.4906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8163 7.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0486 6.4532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1822 9.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4676 6.4813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0689 9.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9469 8.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9383 7.9694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0545 7.4691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1765 7.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2926 7.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6012 10.4961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3574 9.4655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3405 7.4340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7018 7.9570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5258 6.0788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7075 8.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5927 9.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4723 8.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4638 7.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5786 7.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5701 6.4284 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 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 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 12 1 0 0 0 0 1 18 1 0 0 0 0 8 19 1 0 0 0 0 3 20 1 0 0 0 0 21 15 1 0 0 0 0 16 22 1 0 0 0 0 22 23 1 0 0 0 0 32 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 0 0 0 32 33 1 6 0 0 28 18 1 1 0 0 29 24 1 6 0 0 30 25 1 6 0 0 31 26 1 1 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 40 34 1 6 0 0 41 35 1 1 0 0 42 36 1 6 0 0 49 55 1 0 0 0 54 48 1 0 0 0 48 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 1 0 0 50 34 1 1 0 0 51 45 1 6 0 0 52 46 1 1 0 0 53 47 1 6 0 0 39 19 1 1 0 0 M END > LMPK12112353 > Isorhamnetin 3-sophoroside-7-rhamnoside > > C34H42O21 > 786.22 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > FJQKXKNZQQBTDD-IOCIRFPBSA-N > InChI=1S/C34H42O21/c1-10-20(39)24(43)27(46)32(49-10)50-12-6-14(38)19-16(7-12)51-29(11-3-4-13(37)15(5-11)48-2)30(23(19)42)54-34-31(26(45)22(41)18(9-36)53-34)55-33-28(47)25(44)21(40)17(8-35)52-33/h3-7,10,17-18,20-22,24-28,31-41,43-47H,8-9H2,1-2H3/t10-,17+,18+,20-,21+,22+,24+,25-,26-,27+,28+,31+,32-,33-,34-/m0/s1 > C1(O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)=CC2OC(C3C=C(OC)C(O)=CC=3)=C(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 102004843 > - > - > - > - > - > 33090 > - $$$$