LMPK12050379 LIPID_MAPS_STRUCTURE_DATABASE 46 50 0 0 0 999 V2000 14.6862 10.0045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6161 9.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5546 10.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4925 9.4679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4925 8.3444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4651 7.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4380 8.3444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4380 9.4679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4651 10.0293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6165 8.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5546 7.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3679 7.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3679 6.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2977 6.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2278 6.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2278 7.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2977 8.3444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4651 6.7090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1580 6.1967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5546 6.7693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6864 7.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8915 6.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4252 6.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6864 7.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8465 8.1907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8524 8.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7090 9.6536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1211 10.7373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5899 11.2034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6977 9.9163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2748 9.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2752 8.9233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7036 9.7419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1265 10.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5549 11.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3208 6.0869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3836 5.5826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9833 7.0064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1810 8.4769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6076 8.5146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8864 7.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6206 6.7988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6493 6.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9493 7.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2151 8.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5150 8.9359 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 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 4 1 0 0 0 0 2 10 1 0 0 0 0 10 11 2 0 0 0 0 11 5 1 0 0 0 0 7 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 6 18 2 0 0 0 0 15 19 1 0 0 0 0 11 20 1 0 0 0 0 10 21 1 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 29 35 1 0 0 0 34 28 1 0 0 0 28 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 1 0 0 31 25 1 6 0 0 32 26 1 1 0 0 33 27 1 6 0 0 40 46 1 0 0 0 45 39 1 0 0 0 39 41 1 0 0 0 41 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 1 0 0 41 26 1 1 0 0 42 36 1 6 0 0 43 37 1 1 0 0 44 38 1 6 0 0 30 1 1 1 0 0 M END > LMPK12050379 > 5-Methoxyafrormosin 7-O-laminaribioside > > C30H36O16 > 652.20 > Polyketides [PK] > Flavonoids [PK12] > Isoflavonoids [PK1205] > - > > VNYUFHOFVFSLGN-PGNIFTOHSA-N > InChI=1S/C30H36O16/c1-39-13-6-4-12(5-7-13)14-11-42-15-8-16(26(40-2)27(41-3)19(15)20(14)33)43-30-25(38)28(22(35)18(10-32)45-30)46-29-24(37)23(36)21(34)17(9-31)44-29/h4-8,11,17-18,21-25,28-32,34-38H,9-10H2,1-3H3/t17-,18-,21-,22-,23+,24-,25-,28+,29+,30-/m1/s1 > O([C@H]1[C@H](O)[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)[C@H](O)[C@@H](CO)O1)C1C(OC)=C(OC)C2C(=O)C(C3C=CC(OC)=CC=3)=COC=2C=1 > - > - > - > - > - > - > 44257348 > - > - > - > - > - > 33090 > - $$$$