LMPK12110434 LIPID_MAPS_STRUCTURE_DATABASE 43 47 0 0 0 0 0 0 0 0999 V2000 13.2436 -4.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3409 -3.4814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4382 -4.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4382 -5.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3409 -5.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2436 -5.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5358 -3.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6332 -4.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6332 -5.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5358 -5.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8174 -3.5315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5358 -6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3409 -6.2885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2312 -3.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1336 -3.9534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0364 -3.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0364 -2.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1336 -1.8690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2312 -2.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8136 -1.9414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6447 -2.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5453 -7.0710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8421 -8.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1443 -7.0712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8419 -5.1046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3947 -5.7407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6964 -5.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6964 -6.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8419 -7.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9932 -6.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9932 -5.5964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1443 -5.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3883 -7.7566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7160 -9.6957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2026 -10.9443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9515 -8.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6942 -11.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7100 -8.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6315 -8.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7945 -9.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0378 -9.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1163 -9.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3596 -10.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 1 0 0 0 0 6 1 2 0 0 0 0 3 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 4 1 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 5 13 2 0 0 0 0 1 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 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 17 20 1 0 0 0 0 20 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 27 9 1 1 0 0 37 43 1 0 0 0 42 36 1 0 0 0 36 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 0 0 0 42 43 1 1 0 0 38 22 1 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 41 35 1 6 0 0 M END > LMPK12110434 > Isocytisoside 2''-O-glucoside > 6-(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)-5,7-dihydroxy-4'-methoxyflavone > C28H32O15 > 608.17 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > SOCPNUFNLVWPOH-ODEMIOGVSA-N > InChI=1S/C28H32O15/c1-39-11-4-2-10(3-5-11)14-6-12(31)18-15(40-14)7-13(32)19(22(18)35)26-27(24(37)21(34)16(8-29)41-26)43-28-25(38)23(36)20(33)17(9-30)42-28/h2-7,16-17,20-21,23-30,32-38H,8-9H2,1H3/t16-,17-,20-,21-,23+,24+,25-,26+,27-,28+/m1/s1 > C1(C2C=CC(OC)=CC=2)=CC(=O)C2C(O)=C([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)=CC=2O1 > - > - > - > - > - > - > 102147932 > - > - > - > - > - > 33090; 163747 > - $$$$