LMPK12010239 LIPID_MAPS_STRUCTURE_DATABASE 55 60 0 0 0 999 V2000 7.6475 13.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6475 11.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5629 11.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4782 11.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4782 13.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5629 13.5495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3937 11.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3089 11.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3089 13.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3937 13.5495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2240 13.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1569 13.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0897 13.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0897 14.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1569 15.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2240 14.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 13.5494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0051 15.1552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5629 10.3791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1569 16.2221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0366 16.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7026 8.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6438 9.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4057 8.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3468 8.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5293 9.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7674 10.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8227 10.0951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2267 7.4819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1088 8.1492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4705 10.1180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9464 11.4153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8864 9.3568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3547 7.4274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4176 6.9231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0173 8.3469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2150 9.8174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6415 9.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9204 9.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6546 8.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6833 7.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9833 8.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2491 9.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5489 10.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1099 7.9256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1727 7.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7724 8.8451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9701 10.3156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3967 10.3533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6756 9.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4097 8.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4384 8.3860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7384 9.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 10.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3041 10.7746 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 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 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 32 8 1 0 0 0 0 24 29 1 6 0 0 25 30 1 1 0 0 26 31 1 6 0 0 27 32 1 1 0 0 23 22 1 1 0 0 24 23 1 0 0 0 25 24 1 0 0 0 26 25 1 0 0 0 27 26 1 0 0 0 28 27 1 0 0 0 23 28 1 0 0 0 22 33 1 0 0 0 38 44 1 0 0 0 43 37 1 0 0 0 37 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 1 0 0 39 33 1 1 0 0 40 34 1 6 0 0 41 35 1 1 0 0 42 36 1 6 0 0 49 55 1 0 0 0 54 48 1 0 0 0 48 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 1 0 0 50 38 1 1 0 0 51 45 1 6 0 0 52 46 1 1 0 0 53 47 1 6 0 0 M CHG 1 10 1 M END > LMPK12010239 > > Peonidin 3-gentiotrioside > C34H43O21 > 787.23 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > GIPOLQTYBBGBER-ZZEFOAGVSA-O > InChI=1S/C34H42O21/c1-48-17-4-11(2-3-14(17)37)31-18(7-13-15(38)5-12(36)6-16(13)51-31)52-34-30(47)27(44)24(41)21(55-34)10-50-33-29(46)26(43)23(40)20(54-33)9-49-32-28(45)25(42)22(39)19(8-35)53-32/h2-7,19-30,32-35,39-47H,8-10H2,1H3,(H2-,36,37,38)/p+1/t19-,20-,21-,22-,23-,24-,25+,26+,27+,28-,29-,30-,32-,33-,34-/m1/s1 > C1(O)=CC2[O+]=C(C3C=C(OC)C(O)=CC=3)C(O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO[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](CO)O4)O3)=CC=2C(O)=C1 > - > - > - > - > - > - > 178335847 > - > - > - > - > - > 33090 > - $$$$