LMPK12110609 LIPID_MAPS_STRUCTURE_DATABASE 45 49 0 0 0 999 V2000 7.5684 11.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5684 10.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 9.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2402 10.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2402 11.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 11.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0761 9.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9122 10.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9122 11.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0761 11.7496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0761 9.0664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7479 11.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6000 11.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4520 11.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4520 12.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6000 13.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7479 12.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 8.8540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9411 9.7584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 11.7494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6000 13.8920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1835 13.1556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9766 14.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8469 12.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5440 10.9078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3581 10.0617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5298 8.0722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8989 8.3397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0266 6.4193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8101 9.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6297 9.9129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5386 9.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6242 8.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8045 7.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8903 6.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1680 4.6115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1726 4.4512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0409 6.0965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4606 7.1631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0313 6.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6020 5.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6018 5.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0361 6.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4654 7.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8995 7.9043 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 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 8 1 0 0 0 0 1 20 1 0 0 0 0 15 22 1 0 0 0 0 16 21 1 0 0 0 0 21 23 1 0 0 0 0 22 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 44 39 1 0 0 0 39 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 6 0 0 40 29 1 1 0 0 41 36 1 6 0 0 42 37 1 6 0 0 43 38 1 1 0 0 30 19 1 1 0 0 M END > LMPK12110609 > Dillenetin 3-rutinoside > > C29H34O16 > 638.18 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > QYQFHIAAHONCJP-BDAFLREQSA-N > InChI=1S/C29H34O16/c1-10-19(32)22(35)24(37)28(42-10)41-9-17-20(33)23(36)25(38)29(44-17)45-27-21(34)18-13(31)7-12(30)8-16(18)43-26(27)11-4-5-14(39-2)15(6-11)40-3/h4-8,10,17,19-20,22-25,28-33,35-38H,9H2,1-3H3/t10-,17+,19-,20+,22+,23-,24+,25+,28+,29-/m0/s1 > C1(O)=CC2OC(C3C=C(OC)C(OC)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 13714494 > - > - > - > - > - > 33090 > - $$$$