LMPK12010009 LIPID_MAPS_STRUCTURE_DATABASE 41 45 0 0 0 999 V2000 14.0953 10.3427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1150 8.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0955 6.8159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0566 8.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0540 6.6336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5662 9.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5857 9.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0955 8.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5858 7.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5664 7.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0567 6.8159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8838 4.9578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8524 5.1356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9948 6.9805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6065 7.6410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0397 6.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4551 5.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4370 5.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0084 6.8932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5930 7.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1643 8.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0369 10.3237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5361 9.3780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8588 12.2830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4556 13.7637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8912 13.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7460 13.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6009 13.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6009 12.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7460 11.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8912 12.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2137 12.2831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0527 11.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0527 10.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2137 10.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5361 12.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3749 11.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3749 10.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5361 10.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6973 10.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6973 11.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5 11 1 0 0 0 10 4 1 0 0 0 4 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 1 0 0 7 1 1 6 0 0 8 2 1 1 0 0 9 3 1 1 0 0 20 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 6 0 0 19 14 1 1 0 0 17 12 1 6 0 0 18 13 1 6 0 0 16 5 1 1 0 0 34 22 1 0 0 0 0 39 23 1 0 0 0 0 41 24 1 0 0 0 0 28 25 1 0 0 0 0 26 31 1 0 0 0 0 27 26 2 0 0 0 0 28 27 1 0 0 0 0 29 28 2 0 0 0 0 30 29 1 0 0 0 0 31 30 2 0 0 0 0 33 31 1 0 0 0 0 32 37 1 0 0 0 0 33 32 2 0 0 0 0 34 33 1 0 0 0 0 35 34 2 0 0 0 0 38 35 1 0 0 0 0 36 41 2 0 0 0 0 37 36 1 0 0 0 0 38 37 2 0 0 0 0 39 38 1 0 0 0 0 40 39 2 0 0 0 0 41 40 1 0 0 0 0 6 22 1 1 0 0 M CHG 1 32 1 M END > LMPK12010009 > Pelargonidin 3-robinobioside > 3,5,7,4'-Tetrahydroxyflavylium 3-rhamnosyl-(1->6)-galactoside > C27H31O14 > 579.17 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > IFYOHQQBIKDHFT-SAWCTVIXSA-O > InChI=1S/C27H30O14/c1-10-19(31)21(33)23(35)26(38-10)37-9-18-20(32)22(34)24(36)27(41-18)40-17-8-14-15(30)6-13(29)7-16(14)39-25(17)11-2-4-12(28)5-3-11/h2-8,10,18-24,26-27,31-36H,9H2,1H3,(H2-,28,29,30)/p+1/t10-,18+,19-,20-,21+,22-,23+,24+,26+,27+/m0/s1 > O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)O[C@H]1OC1=CC2C(=CC(=CC=2[O+]=C1C1=CC=C(C=C1)O)O)O > C08246 > - > - > - > - > - > 122218162 > - > - > - > - > - > 33090; 4282 > - $$$$