LMPK12010117 LIPID_MAPS_STRUCTURE_DATABASE 43 47 0 0 0 999 V2000 7.4107 13.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4107 12.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2938 12.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1767 12.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1767 13.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2938 14.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0598 12.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9429 12.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9429 13.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0598 14.1559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8256 14.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7254 13.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6256 14.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6256 15.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7254 15.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8256 15.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5252 15.7146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5279 14.1556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2938 11.0972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8580 11.9436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7254 16.7538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9598 10.3462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1270 8.5931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1967 8.4404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4742 10.9893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8424 9.1013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4437 11.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9946 10.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5761 9.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6110 9.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0601 10.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0950 10.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0098 7.3484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0751 7.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9778 8.7884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3239 9.8225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8729 10.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8774 9.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4612 8.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4913 8.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9428 8.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3590 9.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8103 10.5412 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 27 20 1 1 0 0 28 22 1 6 0 0 29 23 1 1 0 0 30 24 1 6 0 0 37 43 1 0 0 0 42 36 1 0 0 0 36 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 0 0 0 42 43 1 1 0 0 38 26 1 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 41 35 1 6 0 0 M CHG 1 10 1 M END > LMPK12010117 > Cyanidin 3-gentiobioside > 3,5,7,3',4'-Pentahydroxyflavylium 3-gentiobioside > C27H31O16 > 611.16 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > SOSQBIZNYUDNPG-ZOTFFYTFSA-O > InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)39-8-18-20(34)22(36)24(38)27(43-18)41-16-6-11-13(31)4-10(29)5-15(11)40-25(16)9-1-2-12(30)14(32)3-9/h1-6,17-24,26-28,33-38H,7-8H2,(H3-,29,30,31,32)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/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](CO)O4)O3)=CC=2C(O)=C1 > - > - > 191499 > - > - > - > 11968393 > - > - > - > - > - > 33090; 4613 > - $$$$