LMPK12050026 LIPID_MAPS_STRUCTURE_DATABASE 40 44 0 0 0 999 V2000 11.5660 12.7605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4666 12.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3673 12.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2675 12.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2675 11.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2011 10.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1349 11.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1349 12.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2011 12.7797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4670 11.2012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3673 10.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2011 9.5461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0679 10.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0679 9.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9605 9.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 9.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 10.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9605 11.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4011 10.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5873 10.0248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4011 9.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6029 8.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6029 7.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4011 7.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1993 7.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1993 8.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4011 6.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5895 9.0844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5491 9.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8682 10.8847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8945 10.5511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6236 12.0915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9411 13.3649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3808 13.6267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5817 12.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2328 11.6549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2433 11.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6080 12.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9569 13.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3214 13.9673 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 6 12 2 0 0 0 0 7 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 21 1 0 0 0 0 24 27 1 0 0 0 0 16 28 1 0 0 0 0 28 29 1 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 35 1 1 1 0 0 36 30 1 6 0 0 37 31 1 1 0 0 38 32 1 6 0 0 30 19 1 0 0 0 0 M END > LMPK12050026 > Formononetin 7-O-(2''-p-hydroxybenzoylglucoside) > > C29H26O11 > 550.15 > Polyketides [PK] > Flavonoids [PK12] > Isoflavonoids [PK1205] > - > > PDHVVKASGTXJHE-IOLXHVLYSA-N > InChI=1S/C29H26O11/c1-36-18-8-4-15(5-9-18)21-14-37-22-12-19(10-11-20(22)24(21)32)38-29-27(26(34)25(33)23(13-30)39-29)40-28(35)16-2-6-17(31)7-3-16/h2-12,14,23,25-27,29-31,33-34H,13H2,1H3/t23-,25-,26+,27-,29-/m1/s1 > O([C@H]1[C@H](OC(C2C=CC(O)=CC=2)=O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C1C=CC2C(=O)C(C3C=CC(OC)=CC=3)=COC=2C=1 > - > - > - > - > - > - > 44257225 > - > - > - > - > - > 33090 > - $$$$