LMPK12010335 LIPID_MAPS_STRUCTURE_DATABASE 77 84 0 0 0 999 V2000 -13.4404 15.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4404 14.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5582 13.9191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6759 14.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6759 15.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5582 15.9564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7936 13.9191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9114 14.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9114 15.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7936 15.9564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9526 16.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0704 15.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1881 16.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1881 17.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0704 17.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9526 17.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3975 17.4757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8514 13.8163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.1566 15.8604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.5582 12.9772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0704 18.4316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3669 15.5266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8763 10.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4015 9.8157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8591 10.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3340 11.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3168 11.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8240 10.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8057 10.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2796 11.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7722 12.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7908 12.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 11.4623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7381 20.3079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4471 21.8243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4932 21.4631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4452 19.0101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3261 20.4482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4273 19.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7612 20.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1131 20.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1362 20.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8023 19.7677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8253 19.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1835 11.9402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4747 10.4236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4286 10.7849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4765 13.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.5956 11.7997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4945 13.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1605 12.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8087 11.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7856 11.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1194 12.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0964 12.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3672 15.8060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2248 14.1745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0668 12.3746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2008 13.9140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3431 11.5010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7801 14.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7884 14.9061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2168 14.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6377 13.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6297 13.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0506 12.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4171 13.3057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3787 13.6516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6541 12.1277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 10.8444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9065 10.6020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7143 11.6081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0549 12.5437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0382 12.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6759 11.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3353 11.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9729 10.2565 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 8 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 15 21 1 0 0 0 0 13 22 1 0 0 0 0 23 24 2 0 0 0 0 23 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 31 1 0 0 0 0 31 32 2 0 0 0 0 32 27 1 0 0 0 0 30 33 1 0 0 0 0 38 44 1 0 0 0 43 37 1 0 0 0 37 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 0 0 0 43 44 1 1 0 0 39 21 1 1 0 0 40 34 1 6 0 0 41 35 1 1 0 0 42 36 1 6 0 0 49 55 1 0 0 0 54 48 1 0 0 0 48 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 1 0 0 50 18 1 1 0 0 51 45 1 6 0 0 52 46 1 1 0 0 53 47 1 6 0 0 60 66 1 0 0 0 65 59 1 0 0 0 59 61 1 0 0 0 61 62 1 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 65 66 1 1 0 0 62 56 1 6 0 0 63 57 1 1 0 0 64 58 1 6 0 0 23 60 1 0 0 0 71 77 1 0 0 0 76 70 1 0 0 0 70 72 1 0 0 0 72 73 1 0 0 0 73 74 1 0 0 0 74 75 1 0 0 0 75 76 1 0 0 0 76 77 1 1 0 0 73 67 1 6 0 0 74 68 1 1 0 0 75 69 1 6 0 0 61 22 1 1 0 0 72 33 1 1 0 0 M CHG 1 10 1 M END > LMPK12010335 > Preternatin C4 > > C48H57O29 > 1097.30 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > HIBVZPSQZUBJTI-QVQVEVMJSA-O > InChI=1S/C48H56O29/c49-12-26-32(56)36(60)40(64)45(74-26)69-19-4-1-16(2-5-19)3-6-30(54)68-15-29-35(59)39(63)43(67)47(77-29)72-24-8-17(7-23(31(24)55)71-46-41(65)37(61)33(57)27(13-50)75-46)44-25(11-20-21(53)9-18(52)10-22(20)70-44)73-48-42(66)38(62)34(58)28(14-51)76-48/h1-11,26-29,32-43,45-51,56-67H,12-15H2,(H2-,52,53,55)/p+1/b6-3+/t26-,27-,28-,29-,32-,33-,34-,35-,36+,37+,38+,39+,40-,41-,42-,43-,45-,46-,47-,48-/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)=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C5C=CC(O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O6)=CC=5)=O)O4)C=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC=2C(O)=C1 > - > - > - > - > - > - > 10558126 > - > - > - > - > - > 33090; 43366 > 9834153 $$$$