LMPK12112342 LIPID_MAPS_STRUCTURE_DATABASE 45 49 0 0 0 999 V2000 12.3901 10.7825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4008 9.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3226 9.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2339 9.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2234 10.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3016 11.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1557 9.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0671 9.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0565 10.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1347 11.3389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1640 8.3972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2037 11.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1647 11.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0695 11.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0133 12.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0522 13.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1472 12.6404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3333 8.1463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9294 13.2668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2891 11.4039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8060 9.0362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0522 14.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9684 14.8148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1006 9.4114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2804 8.5784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 9.7374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5631 11.5672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0223 11.1575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3817 10.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2875 9.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3746 9.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5616 10.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6559 11.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8427 11.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6915 9.7073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2157 8.4098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8526 6.4461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3874 7.4028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8326 5.2732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5672 8.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5099 8.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2730 8.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0914 7.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1487 6.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9670 5.7749 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 4 3 1 0 0 0 0 1 20 1 0 0 0 0 21 8 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 29 20 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 21 1 1 0 0 41 35 1 6 0 0 42 36 1 1 0 0 43 37 1 6 0 0 M END > LMPK12112342 > Isorhamnetin 3,7-diglucoside > > C28H32O17 > 640.16 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > ZYYJHXKSQKLEBL-QDYVESOYSA-N > InChI=1S/C28H32O17/c1-40-13-4-9(2-3-11(13)31)25-26(45-28-24(39)22(37)19(34)16(8-30)44-28)20(35)17-12(32)5-10(6-14(17)42-25)41-27-23(38)21(36)18(33)15(7-29)43-27/h2-6,15-16,18-19,21-24,27-34,36-39H,7-8H2,1H3/t15-,16-,18-,19-,21+,22+,23-,24-,27-,28+/m1/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC(C3C=C(OC)C(O)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 5323537 > - > - > - > - > - > 33090 > - $$$$