LMPK12110608 LIPID_MAPS_STRUCTURE_DATABASE 45 49 0 0 0 999 V2000 7.5922 12.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5922 11.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4520 10.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3119 11.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3119 12.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4520 12.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1719 10.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0317 11.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0317 12.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1719 12.6864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1719 9.9264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8913 12.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7678 12.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6441 12.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6441 13.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7678 14.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8913 13.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4520 9.7082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 12.6862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6409 10.5961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1710 14.0025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7678 14.7950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8656 13.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1996 15.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1707 9.3613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8231 7.3901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9458 6.7095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5231 9.3196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4179 6.9954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4655 9.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2319 9.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0564 8.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1179 7.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3513 8.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4125 7.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9110 10.3498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6375 9.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6207 7.3396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0268 7.8539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0327 8.8571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9027 9.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7673 8.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7588 7.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8889 7.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8804 6.3513 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 1 19 1 0 0 0 0 8 20 1 0 0 0 0 15 21 1 0 0 0 0 16 22 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 25 1 1 0 0 41 36 1 6 0 0 42 37 1 6 0 0 43 38 1 1 0 0 30 20 1 1 0 0 M END > LMPK12110608 > Dillenetin 3-neohesperidoside > > C29H34O16 > 638.18 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > Quercetin 3',4'-dimethyl ether 3-neohesperidoside > VVPNVCFMXIBGMP-JFJUKJKOSA-N > InChI=1S/C29H34O16/c1-10-19(33)22(36)24(38)28(41-10)45-27-23(37)20(34)17(9-30)43-29(27)44-26-21(35)18-13(32)7-12(31)8-16(18)42-25(26)11-4-5-14(39-2)15(6-11)40-3/h4-8,10,17,19-20,22-24,27-34,36-38H,9H2,1-3H3/t10-,17+,19-,20+,22+,23-,24+,27+,28-,29-/m0/s1 > C1(O)=CC2OC(C3C=C(OC)C(OC)=CC=3)=C(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 102158637 > - > - > - > - > - > 33090 > - $$$$