LMPK12010122 LIPID_MAPS_STRUCTURE_DATABASE 43 47 0 0 0 999 V2000 7.6743 8.9035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6743 7.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5256 7.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3769 7.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3769 8.9035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5256 9.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2281 7.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0795 7.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0795 8.9035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2281 9.3949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9303 9.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7981 8.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6655 9.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6655 10.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7981 10.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9303 10.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5330 10.8974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5256 6.4465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7981 11.8990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8692 7.4847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8235 9.3948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1284 10.7472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2959 11.6178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1363 13.6353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8006 13.3454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8271 15.0511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8834 12.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0486 11.7561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1307 12.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0510 13.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8858 13.7782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8061 14.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5224 6.3094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3312 4.2898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4898 3.4497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8511 6.0525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9233 3.6147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7751 6.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6017 5.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5045 4.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5839 4.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7573 5.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8365 4.6249 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 3 18 1 0 0 0 0 15 19 1 0 0 0 0 20 8 1 0 0 0 0 1 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 19 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 20 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 > LMPK12010122 > Cyanidin 3,3'-diglucoside > 3,5,7,3',4'-Pentahydroxyflavylium 3,3'-diglucoside > C27H31O16 > 611.16 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > MNKUMWVPHXPSLS-ZOTFFYTFSA-O > InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-3-9(1-2-12(15)31)25-16(6-11-13(32)4-10(30)5-14(11)39-25)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,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@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)C(O)=CC=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC=2C(O)=C1 > - > - > - > - > - > - > 102148660 > - > - > - > - > - > 33090; 4613 > - $$$$