LMPK12112373 LIPID_MAPS_STRUCTURE_DATABASE 45 49 0 0 0 999 V2000 12.2088 9.4756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2088 8.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0835 7.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9583 8.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9583 9.4756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0835 9.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8331 7.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7077 8.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7077 9.4756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8331 9.9807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8331 7.1730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8093 10.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7218 9.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5906 10.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5475 11.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6351 11.7556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7660 11.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0835 6.9509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4221 11.7839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4304 9.9807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5935 7.8217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6351 12.7657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5098 13.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6750 8.0388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6672 7.6995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3743 9.2665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7320 10.5620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1274 10.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3836 9.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0286 8.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0220 8.6536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3757 9.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7307 10.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0842 11.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9726 6.4699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2626 4.5614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2591 4.2253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3160 6.9147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7831 4.7923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3221 7.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9710 6.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6138 5.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6120 5.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9632 5.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9614 5.7942 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 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 3 18 1 0 0 0 0 19 15 1 0 0 0 0 20 1 1 0 0 0 0 21 8 1 0 0 0 0 4 3 1 0 0 0 0 16 22 1 0 0 0 0 22 23 1 0 0 0 0 28 34 1 0 0 0 33 27 1 0 0 0 27 29 1 0 0 0 29 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 1 0 0 30 24 1 6 0 0 31 25 1 1 0 0 32 26 1 6 0 0 39 45 1 0 0 0 44 38 1 0 0 0 38 40 1 0 0 0 40 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 1 0 0 40 24 1 1 0 0 41 35 1 6 0 0 42 36 1 1 0 0 43 37 1 6 0 0 29 20 1 1 0 0 M END > LMPK12112373 > Isorhamnetin 7-sophoroside > > C28H32O17 > 640.16 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > ONLNVSCPXDNJOF-KUVQUCNSSA-N > InChI=1S/C28H32O17/c1-40-13-4-9(2-3-11(13)31)25-23(38)20(35)17-12(32)5-10(6-14(17)42-25)41-28-26(22(37)19(34)16(8-30)44-28)45-27-24(39)21(36)18(33)15(7-29)43-27/h2-6,15-16,18-19,21-22,24,26-34,36-39H,7-8H2,1H3/t15-,16-,18-,19-,21+,22+,24-,26-,27+,28-/m1/s1 > C1(O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC(C3C=C(OC)C(O)=CC=3)=C(O)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 14353476 > - > - > - > - > - > 33090 > - $$$$