LMPK12010097 LIPID_MAPS_STRUCTURE_DATABASE 42 46 0 0 0 999 V2000 7.5512 11.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5512 10.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4120 10.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2728 10.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2728 11.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4120 12.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1335 10.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9942 10.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9942 11.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1335 12.1519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8549 12.1516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7322 11.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6095 12.1516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6095 13.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7322 13.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8549 13.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4864 13.6711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6908 12.1516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4120 9.1704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8864 9.9954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7322 14.6840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8852 9.9867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8798 8.2638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8855 6.5463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8965 8.2637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9184 6.3683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3935 9.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3882 9.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8855 8.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3882 7.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3936 7.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8966 6.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9209 4.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1981 3.3799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4807 4.3744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1979 6.3635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 5.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 4.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1979 4.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3394 4.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3392 5.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4806 6.3634 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 15 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 1 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 40 35 1 1 0 0 38 33 1 6 0 0 39 34 1 6 0 0 37 26 1 1 0 0 27 20 1 1 0 0 M CHG 1 10 1 M END > LMPK12010097 > Cyanidin 3-robinobioside > 3,5,7,3',4'-Pentahydroxyflavylium 3-robinobioside > C27H31O15 > 595.17 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > USNPULRDBDVJAO-OYUKCYOPSA-O > InChI=1S/C27H30O15/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/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20-,21+,22-,23+,24+,26+,27+/m0/s1 > C1(O)=CC2[O+]=C(C3C=C(O)C(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](C)O4)O3)=CC=2C(O)=C1 > - > - > - > - > - > - > 16212331 > - > - > - > - > - > 33090; 4282 > - $$$$