LMPK12112016 LIPID_MAPS_STRUCTURE_DATABASE 58 63 0 0 0 999 V2000 11.8043 13.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8043 12.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7401 11.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6758 12.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6758 13.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7401 13.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6116 11.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5473 12.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5473 13.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6116 13.7013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6116 10.6977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4827 13.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4366 13.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3903 13.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3903 14.8024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4366 15.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4827 14.8024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8689 13.7011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6983 11.5056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7401 10.4600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7401 14.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8047 15.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8047 16.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7401 16.9415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8691 16.9415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3436 15.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1362 14.8952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5074 11.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6216 11.0615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1025 12.3578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1637 14.0143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5968 13.8275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9286 13.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7479 12.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8022 12.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0428 12.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2235 13.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4640 14.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6717 11.8392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9473 10.2967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2487 8.4259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9872 9.7962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3356 10.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3223 10.9038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9607 10.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6113 9.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6247 9.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2753 8.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6138 12.2701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1563 13.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0271 12.8471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6568 10.5856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7160 10.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5492 11.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3232 12.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2585 12.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4252 11.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3607 10.8737 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 6 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 15 26 1 0 0 0 0 26 27 1 0 0 0 0 32 38 1 0 0 0 37 31 1 0 0 0 31 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 0 0 0 37 38 1 1 0 0 33 18 1 1 0 0 34 28 1 6 0 0 35 29 1 1 0 0 36 30 1 6 0 0 47 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 0 0 0 47 48 1 6 0 0 43 19 1 1 0 0 44 39 1 6 0 0 45 40 1 6 0 0 46 41 1 1 0 0 57 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 57 58 1 6 0 0 53 40 1 1 0 0 54 49 1 6 0 0 55 50 1 6 0 0 56 51 1 1 0 0 M END > LMPK12112016 > Hexandraside D > > C39H50O19 > 822.29 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > LMZZWQKHDOVICB-NZBQYGKQSA-N > InChI=1S/C39H50O19/c1-14(2)6-11-19-21(54-38-31(49)29(47)26(44)22(13-40)55-38)12-20(41)23-27(45)36(33(56-34(19)23)17-7-9-18(51-5)10-8-17)58-39-32(50)35(25(43)16(4)53-39)57-37-30(48)28(46)24(42)15(3)52-37/h6-10,12,15-16,22,24-26,28-32,35,37-44,46-50H,11,13H2,1-5H3/t15-,16-,22+,24-,25-,26+,28+,29-,30+,31+,32+,35+,37-,38+,39-/m0/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C(C/C=C(/C)\C)C2OC(C3C=CC(OC)=CC=3)=C(O[C@H]3[C@H](O)[C@H](O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)[C@@H](O)[C@H](C)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 20833234 > - > - > - > - > - > 33090 > - $$$$