LMPK12010019 LIPID_MAPS_STRUCTURE_DATABASE 42 46 0 0 0 999 V2000 7.7055 9.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7055 8.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5417 8.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3782 8.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3782 9.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5417 10.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2144 8.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0507 8.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0507 9.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2144 10.3076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8867 10.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7393 9.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5917 10.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5917 11.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7393 11.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8867 11.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4437 11.7835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 10.3075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5417 7.4107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0322 8.3536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7132 9.5130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5580 8.6367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7187 6.6055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0365 6.8975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0233 5.1803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9531 7.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7935 8.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7177 8.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7979 7.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9575 6.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0378 5.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4774 6.6140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4463 6.0714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9573 4.0989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2652 3.9206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5199 2.5746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0058 4.9109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7328 5.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7194 5.3544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9747 4.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2478 3.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5031 2.6652 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 14 17 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 8 20 1 0 0 0 0 25 31 1 0 0 0 30 24 1 0 0 0 24 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 0 0 0 30 31 1 1 0 0 26 20 1 1 0 0 27 21 1 6 0 0 28 22 1 1 0 0 29 23 1 6 0 0 36 42 1 0 0 0 41 35 1 0 0 0 35 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 1 0 0 37 25 1 1 0 0 38 32 1 6 0 0 39 33 1 1 0 0 40 34 1 6 0 0 M CHG 1 10 1 M END > LMPK12010019 > Pelargonidin 3-gentiobioside > 3,5,7,4'-Tetrahydroxyflavylium 3-gentiobioside > C27H31O15 > 595.17 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > FFLWSYWCEZNCNG-ZOTFFYTFSA-O > InChI=1S/C27H30O15/c28-8-17-19(32)21(34)23(36)26(41-17)38-9-18-20(33)22(35)24(37)27(42-18)40-16-7-13-14(31)5-12(30)6-15(13)39-25(16)10-1-3-11(29)4-2-10/h1-7,17-24,26-28,32-37H,8-9H2,(H2-,29,30,31)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1 > C1(O)=CC2[O+]=C(C3C=CC(O)=CC=3)C(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](CO)O4)O3)=CC=2C(O)=C1 > - > - > - > - > - > - > 101429627 > - > - > - > - > - > 33090; 26339 > - $$$$