LMPK12020053 LIPID_MAPS_STRUCTURE_DATABASE 42 46 0 0 0 999 V2000 7.3931 12.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 11.1860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2885 10.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1839 11.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1839 12.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2885 12.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0792 10.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9746 11.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9746 12.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0792 12.7370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8700 12.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7730 12.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6756 12.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6757 13.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7730 14.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8701 13.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5399 14.2784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4977 12.7370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8700 10.6692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7729 15.3420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2883 9.6377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7779 11.2094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1437 9.8433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6427 7.9823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3452 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9042 7.0696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5944 10.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 10.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2110 9.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9604 8.6629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0275 8.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7769 7.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8905 5.1380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2106 4.1841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5496 5.1616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2310 7.0814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0667 6.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0599 5.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2173 5.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3869 5.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3936 6.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5632 7.0931 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 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 17 14 1 0 0 0 0 1 18 1 0 0 0 0 8 19 1 1 0 0 0 15 20 1 0 0 0 0 3 21 1 0 0 0 0 26 32 1 0 0 0 31 25 1 0 0 0 25 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 1 0 0 28 22 1 6 0 0 29 23 1 1 0 0 30 24 1 6 0 0 41 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 0 0 0 41 42 1 6 0 0 37 26 1 1 0 0 38 33 1 6 0 0 39 34 1 6 0 0 40 35 1 1 0 0 27 19 1 1 0 0 M END > LMPK12020053 > Catechin 3-O-rutinoside > (2R,3S)-3,5,7,3'4'-Pentahydroxyflavan 3-O-rhamnosyl-(1->6)-glucoside > C27H34O15 > 598.19 > Polyketides [PK] > Flavonoids [PK12] > Flavans, Flavanols and Leucoanthocyanidins [PK1202] > - > > PKKUTJOKYCMKKA-RPOZNQEGSA-N > InChI=1S/C27H34O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-6,9,17-37H,7-8H2,1H3/t9-,17-,18+,19-,20+,21+,22-,23+,24+,25+,26+,27+/m0/s1 > C1(O)C=C2O[C@H](C3C=C(O)C(O)=CC=3)[C@@H](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)CC2=C(O)C=1 > - > - > - > - > - > - > 44257079 > - > - > - > - > - > 33090; 478951 > - $$$$