LMPK12010145 LIPID_MAPS_STRUCTURE_DATABASE 58 63 0 0 0 999 V2000 7.6056 16.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6145 15.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5093 15.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3955 15.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3865 16.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 17.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2903 15.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1761 15.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1674 16.6629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2726 17.1695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0531 17.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9649 16.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8680 17.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8590 18.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9472 18.7642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0440 18.2323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7110 17.1387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7449 18.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5183 14.0701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8521 14.4869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9385 19.7920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5953 10.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5891 9.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4762 8.7524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3693 9.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3746 10.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1753 10.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9706 10.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9654 9.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1647 8.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8639 10.6889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0879 10.7924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8525 8.7356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1816 11.6742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5414 12.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4962 9.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7219 13.7914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0543 11.8240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5189 10.5572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2496 12.8673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9886 10.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0193 13.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9541 13.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1195 12.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3517 11.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4169 11.8861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6491 11.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6577 8.4357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3642 6.9165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4069 7.2784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3606 9.7356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2378 8.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3445 9.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6789 8.6168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0296 7.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0511 8.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7166 8.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7378 9.1578 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 22 23 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 32 2 0 0 0 0 29 33 1 0 0 0 0 27 34 1 0 0 0 0 34 35 1 0 0 0 0 33 36 1 0 0 0 0 41 47 1 0 0 0 46 40 1 0 0 0 40 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 1 0 0 42 20 1 1 0 0 43 37 1 6 0 0 44 38 1 1 0 0 45 39 1 6 0 0 52 58 1 0 0 0 57 51 1 0 0 0 51 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 57 58 1 1 0 0 53 41 1 1 0 0 54 48 1 6 0 0 55 49 1 1 0 0 56 50 1 6 0 0 22 39 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010145 > Alatanin 1 > 3-[[6-O-beta-D-Glucopyranosyl-4-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]anthocyanidin-3',4',7-triol > C38H41O20 > 817.22 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > RAPZMNBUKQLWKN-QVAQBCLWSA-O > InChI=1S/C38H40O20/c1-51-23-7-15(8-24(52-2)29(23)45)3-6-28(44)58-36-27(14-53-37-33(49)31(47)30(46)26(13-39)56-37)57-38(34(50)32(36)48)55-25-12-18-20(42)10-17(40)11-22(18)54-35(25)16-4-5-19(41)21(43)9-16/h3-12,26-27,30-34,36-39,46-50H,13-14H2,1-2H3,(H4-,40,41,42,43,44,45)/p+1/t26-,27-,30-,31+,32-,33-,34-,36-,37-,38-/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](OC(=O)/C=C\C4C=C(OC)C(O)=C(OC)C=4)[C@@H](CO[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)O3)=CC=2C(O)=C1 > - > - > - > - > - > - > 178335807 > - > - > - > - > - > 33090; 55571 > - $$$$