LMPK12112759 LIPID_MAPS_STRUCTURE_DATABASE 45 49 0 0 0 999 V2000 15.9076 8.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0281 9.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0281 10.4227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9076 10.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7869 10.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7869 9.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1485 8.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2691 9.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3896 8.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3896 7.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2691 7.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1485 7.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5101 9.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6307 8.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6307 7.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5101 7.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2691 6.3608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7513 9.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0281 7.3762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5101 6.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6664 10.9306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9076 11.9461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9060 7.8832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5444 10.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7623 7.3747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0288 6.3739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3006 7.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0286 9.3761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5377 8.7287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8982 8.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8982 7.8751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0286 7.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1647 7.8749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1647 8.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3006 9.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8712 6.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3287 5.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4579 6.1782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8282 8.4398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 8.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9358 7.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1618 6.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2265 6.8156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0598 7.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1243 8.1516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 13 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 1 0 0 0 0 19 23 1 0 0 0 0 21 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 18 1 1 0 0 M END > LMPK12112759 > Quercetin 3,4'-dimethyl ether 7-rutinoside > > C29H34O16 > 638.18 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > ZGHMHQGZMJLPND-GGQHDFQOSA-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(45-17)43-12-7-14(31)18-16(8-12)44-26(27(40-3)21(18)34)11-4-5-15(39-2)13(30)6-11/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 > C1C=C(OC)C(O)=CC=1C1=C(OC)C(=O)C2C(O)=CC(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)=CC=2O1 > - > - > - > - > - > - > 5495545 > - > - > - > - > - > 33090; 42336 > 9090869 $$$$