LMPK12140337 LIPID_MAPS_STRUCTURE_DATABASE 42 46 0 0 0 999 V2000 11.9677 9.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9677 8.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9215 7.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8754 8.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8754 9.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9215 9.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8293 7.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7830 8.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7830 9.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8293 9.6646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7366 9.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7088 9.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6809 9.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6809 10.7869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7088 11.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7366 10.7869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8293 6.5294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9215 6.3607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6909 11.3699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5713 10.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7726 5.1652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9472 3.1710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7581 2.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4064 4.8929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4977 5.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6781 4.7444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7669 3.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6723 3.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4920 3.8981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3975 3.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3793 10.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6458 9.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6483 7.6387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2457 8.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4396 6.3010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2471 9.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3806 9.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5123 9.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5137 8.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3802 7.6366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3815 6.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1016 9.6139 0.0000 O 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 6 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 7 17 2 0 0 0 0 3 18 1 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 29 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 1 0 0 26 21 1 1 0 0 27 22 1 1 0 0 28 23 1 6 0 0 35 41 1 0 0 0 40 34 1 0 0 0 34 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 6 0 0 37 31 1 1 0 0 38 32 1 6 0 0 39 33 1 1 0 0 25 35 1 6 0 0 1 42 1 0 0 0 36 42 1 6 0 0 M END > LMPK12140337 > Didymin > > C28H34O14 > 594.19 > Polyketides [PK] > Flavonoids [PK12] > Flavanones [PK1214] > - > Isosakuranetin-7-O-rutinoside > RMCRQBAILCLJGU-HIBKWJPLSA-N > InChI=1S/C28H34O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-29,31-36H,9-10H2,1-2H3/t11-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)O2)=CC2O[C@H](C3C=CC(OC)=CC=3)CC(=O)C=2C(O)=C1 > - > - > 176179 > - > - > - > 16760075 > - > - > - > - > - > 33090 > - $$$$