LMPK12010162 LIPID_MAPS_STRUCTURE_DATABASE 60 65 0 0 0 999 V2000 11.6037 12.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6037 11.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4645 10.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3254 11.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3254 12.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4645 12.6265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1862 10.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0471 11.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0471 12.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1862 12.6265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9077 12.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7849 12.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6623 12.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6623 13.6393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7849 14.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9077 13.6393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7431 12.6263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5396 14.1457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4645 9.6445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6911 10.0200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7849 15.1587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1790 4.8737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0477 4.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4765 5.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4202 5.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9083 6.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8843 6.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3723 5.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8843 4.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9083 4.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3489 5.6302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5330 4.2606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3338 9.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6525 9.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9519 9.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1696 9.4481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3338 10.8590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9519 10.8019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2760 7.6520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4558 6.8190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8296 7.9780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7385 9.8078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1977 9.3980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5571 9.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4628 8.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5500 7.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7370 8.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8312 9.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0181 9.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6279 10.5243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0332 9.0989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5003 7.1743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1279 8.3423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3820 6.0948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3930 9.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3614 9.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0649 8.8466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7983 7.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8300 7.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5635 6.6700 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 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 20 8 1 0 0 0 0 15 21 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 25 1 0 0 0 0 28 31 1 0 0 0 0 22 23 1 0 0 0 0 22 32 2 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 33 37 2 0 0 0 0 35 38 1 0 0 0 0 43 49 1 0 0 0 48 42 1 0 0 0 42 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 1 0 0 44 19 1 1 0 0 45 39 1 6 0 0 46 40 1 1 0 0 47 41 1 6 0 0 54 60 1 0 0 0 59 53 1 0 0 0 53 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 59 60 1 1 0 0 55 20 1 1 0 0 56 50 1 6 0 0 57 51 1 1 0 0 58 52 1 6 0 0 43 33 1 0 0 0 0 54 22 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010162 > Malonylshisonin > > C39H39O21 > 843.20 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > HCZDGTUAMVKZNE-KMKFZPLVSA-O > InChI=1S/C39H38O21/c40-18-5-1-16(2-6-18)3-8-29(46)54-14-26-31(48)34(51)36(53)39(60-26)58-25-12-20-23(56-37(25)17-4-7-21(42)22(43)9-17)10-19(41)11-24(20)57-38-35(52)33(50)32(49)27(59-38)15-55-30(47)13-28(44)45/h1-12,26-27,31-36,38-39,48-53H,13-15H2,(H4-,40,41,42,43,44,45,46)/p+1/t26-,27-,31-,32-,33+,34+,35-,36-,38-,39-/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](COC(=O)/C=C/C4C=CC(O)=CC=4)O3)=CC=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)CC(O)=O)O2)=C1 > C16299 > - > 80435 > - > - > - > 11972402 > - > - > - > - > - > 33090 > - $$$$