LMPK12120465 LIPID_MAPS_STRUCTURE_DATABASE 63 69 0 0 0 0 999 V2000 9.3268 -7.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3268 -8.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2138 -8.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1007 -8.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1007 -7.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2138 -6.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2138 -5.9202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4396 -8.9931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4396 -6.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5526 -7.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6657 -6.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7787 -7.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8915 -6.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0046 -7.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0046 -8.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8915 -8.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7787 -8.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9879 -8.9931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8749 -8.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7618 -8.9931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6489 -8.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6489 -7.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7618 -6.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8749 -7.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9879 -6.9446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7618 -5.9202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8749 -5.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9879 -5.9202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8749 -4.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7618 -3.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7618 -2.8475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8749 -2.3354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9879 -2.8475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9879 -3.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8749 -1.3111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6489 -2.3354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1007 -2.3354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4217 -7.0105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2540 -7.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0333 -7.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2540 -6.4669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9205 -7.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8075 -7.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8075 -6.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9205 -5.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0333 -6.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9205 -4.4805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6944 -5.5047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6944 -7.5532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9205 -8.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0333 -9.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0333 -10.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9205 -10.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8075 -10.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8075 -9.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6944 -8.4911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6944 -10.5396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9205 -11.5639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0317 -9.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7116 -9.3976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2451 -8.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0676 -8.1561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4396 -5.8673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 2 8 1 0 0 0 0 1 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 4 18 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 24 25 1 6 0 0 0 23 26 1 1 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 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 33 1 0 0 0 0 33 34 2 0 0 0 0 34 29 1 0 0 0 0 32 35 1 0 0 0 0 31 36 1 0 0 0 0 33 37 1 0 0 0 0 22 38 1 6 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 40 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 40 1 0 0 0 0 45 47 1 0 0 0 0 44 48 1 0 0 0 0 43 49 1 0 0 0 0 42 50 1 0 0 0 0 50 51 2 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 53 54 1 0 0 0 0 54 55 2 0 0 0 0 55 50 1 0 0 0 0 55 56 1 0 0 0 0 54 57 1 0 0 0 0 53 58 1 0 0 0 0 21 59 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 51 1 0 0 0 0 61 62 2 0 0 0 0 9 63 2 0 0 0 0 19 18 1 1 0 0 0 M END > LMPK12120465 > Thonningianin A > ((10R,11R,12R,13S,15R)-13-(3,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy)-3,4,5,12,21,22,23-heptahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo(17.4.0.02,7.010,15)tricosa-1(23),2,4,6,19,21-hexaen-11-yl) 3,4,5-trihydroxybenzoate > C42H34O21 > 874.16 > Polyketides [PK] > Flavonoids [PK12] > Chalcones and dihydrochalcones [PK1212] > - > > XQVKQEFQGYTUAR-VHBRHXFYSA-N > InChI=1S/C42H34O21/c43-20(7-6-15-4-2-1-3-5-15)30-21(44)10-17(11-22(30)45)60-42-36(55)38(63-39(56)16-8-23(46)31(50)24(47)9-16)37-27(61-42)14-59-40(57)18-12-25(48)32(51)34(53)28(18)29-19(41(58)62-37)13-26(49)33(52)35(29)54/h1-5,8-13,27,36-38,42,44-55H,6-7,14H2/t27-,36-,37-,38-,42-/m1/s1 > C1(C(=O)CCC2C=CC=CC=2)C(O)=CC(O[C@H]2[C@H](O)[C@@H](OC(C3C=C(O)C(O)=C(O)C=3)=O)[C@@H]3OC(=O)C4C=C(O)C(O)=C(O)C=4C4C(O)=C(O)C(O)=CC=4C(=O)OC[C@H]3O2)=CC=1O > - > - > 66227 > - > - > - > 10328286 > - > - > - > - > - > 33090; 1618145 > 10843586 $$$$