LMPK12050009 LIPID_MAPS_STRUCTURE_DATABASE 39 43 0 0 0 999 V2000 11.2411 9.2540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2411 8.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1444 7.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0476 8.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0476 9.2540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1444 9.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9508 7.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8540 8.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8540 9.2540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9508 9.7754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9508 6.8764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3383 9.7753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7233 6.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6424 6.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5614 6.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5614 7.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6424 8.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7233 7.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4798 6.1644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4114 10.6852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4115 12.6251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0887 13.5907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9311 11.1706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5949 13.5748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0899 10.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2500 11.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2513 12.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0900 12.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9297 12.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7684 12.6209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7776 15.5058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5415 16.3130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1175 15.1898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2676 13.4165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4743 13.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5656 14.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4502 15.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2381 14.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1468 13.8205 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 1 12 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 8 18 1 0 0 0 0 15 19 1 0 0 0 0 24 30 1 0 0 0 29 23 1 0 0 0 23 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 1 0 0 26 20 1 6 0 0 27 21 1 1 0 0 28 22 1 6 0 0 39 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 0 0 0 38 39 1 0 0 0 35 24 1 1 0 0 36 31 1 6 0 0 37 32 1 1 0 0 38 33 1 6 0 0 25 6 1 1 0 0 M END > LMPK12050009 > Pueraria glycoside 2 > > C26H28O13 > 548.15 > Polyketides [PK] > Flavonoids [PK12] > Isoflavonoids [PK1205] > - > Puerarin 6''-O-xyloside > YCFQXQCEEPCZMO-KATYHMCLSA-N > InChI=1S/C26H28O13/c27-11-3-1-10(2-4-11)13-7-36-24-12(18(13)30)5-6-14(28)17(24)25-22(34)21(33)20(32)16(39-25)9-38-26-23(35)19(31)15(29)8-37-26/h1-7,15-16,19-23,25-29,31-35H,8-9H2/t15-,16-,19+,20-,21+,22-,23-,25+,26+/m1/s1 > C1(O)=C([C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]3[C@H](O)[C@@H](O)[C@H](O)CO3)O2)C2OC=C(C3C=CC(O)=CC=3)C(=O)C=2C=C1 > - > - > - > - > - > - > 100990912 > - > - > - > - > - > 33090; 3892 > - $$$$